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1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester

1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester structure

CAS No:
6960-46-9
Formula:
C11H10N2O4
Chemical Name:
1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester
Synonyms:
1H-Indole-2-carboxylic acid,7-nitro-,ethyl ester;Indole-2-carboxylic acid,7-nitro-,ethyl ester;NSC 69878;Ethyl 7-nitroindole-2-carboxylate;Ethyl 7-nitro-1H-indole-2-carboxylate

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1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester Basic Attributes

Molecular Weight：

234.20800

Exact Mass：

234.21

NSC Number：

69878

DSSTox ID：

DTXSID30290598

HScode：

2933990090

Characteristics

PSA：

87.91000

XLogP3：

2.77600

Appearance：

yellow to brown powder

Density：

1.393 g/cm3

Melting Point：

92-93 °C @ Solvent: Ethyl acetate

Boiling Point：

429.5ºC at 760 mmHg

Flash Point：

213.5ºC

Refractive Index：

1.652

Safety Information

safety instructions：

24/25

Marks：

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:234.21
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:234.06405680
Monoisotopic Mass:234.06405680
Topological Polar Surface Area:87.9
Heavy Atom Count:17
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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