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5-(3-Nitrophenyl)oxazole

5-(3-Nitrophenyl)oxazole structure

CAS No:
89808-77-5
Formula:
C9H6N2O3
Chemical Name:
5-(3-Nitrophenyl)oxazole
Synonyms:
Oxazole,5-(3-nitrophenyl)-;5-(3-Nitrophenyl)oxazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-(3-Nitrophenyl)oxazole Basic Attributes

Molecular Weight：

190.16

Exact Mass：

190.16

DSSTox ID：

DTXSID70371810

Characteristics

Density：

1.333±0.06 g/cm3

Boiling Point：

351.4±25.0 °C(Predicted)

PKA：

0.06±0.10

Safety Information

Marks：

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:190.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:190.03784206
Monoisotopic Mass:190.03784206
Topological Polar Surface Area:71.8
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes