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1H-INDAZOLE-6-CARBOXYLICACID,3-IODO-,METHYLESTER

1H-INDAZOLE-6-CARBOXYLICACID,3-IODO-,METHYLESTER structure

CAS No:
885518-82-1
Formula:
C9H7IN2O2
Chemical Name:
1H-INDAZOLE-6-CARBOXYLICACID,3-IODO-,METHYLESTER
Synonyms:
1H-INDAZOLE-6-CARBOXYLIC ACID,3-IODO-,METHYL ESTER;Methyl 3-iodoindazole-6-carboxylate;3-Iodo-1H-indazole-6-carboxylic acid methyl ester;Methyl 3-iodoindazole-6-c...;3-iodo-6-methoxycarbonyl-1H-indazole;Methyl 3-iodo-1H-indazole-6-carboxylate;3-iodo-1-methyl-6-indazolecarboxylate

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1H-INDAZOLE-6-CARBOXYLICACID,3-IODO-,METHYLESTER Basic Attributes

Molecular Weight：

302.07

Exact Mass：

301.95523

DSSTox ID：

DTXSID40646284

Characteristics

Density：

1.948±0.06 g/cm3

Boiling Point：

421.4±25.0 °C(Predicted)

PKA：

10.47±0.40

Safety Information

wgk germany：

hazard class code：

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:302.07
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:301.95523
Monoisotopic Mass:301.95523
Topological Polar Surface Area:55
Heavy Atom Count:14
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-INDAZOLE-6-CARBOXYLICACID,3-IODO-,METHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties

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