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N-Nitroaniline

N-Nitroaniline structure

CAS No:
645-55-6
Formula:
C6H6N2O2
Chemical Name:
N-Nitroaniline
Synonyms:
Benzenamine,N-nitro-;Aniline,N-nitro-;N-Nitrobenzenamine;N-Phenylnitramine;Nitraminic acid,phenyl-;N-Nitroaniline;Phenylnitramine
Categories:
Organic Chemistry > Amides

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N-Nitroaniline Basic Attributes

Molecular Weight：

138.126

Exact Mass：

138.12

DSSTox ID：

DTXSID80214749

HScode：

2928000090

Characteristics

PSA：

57.8

XLogP3：

1.88640

Density：

1.313g/cm3

Melting Point：

47.3 °C

Boiling Point：

247.7ºC at 760mmHg

Flash Point：

103.6ºC

Drug Information

MeSH Entry Terms：

nitroaniline

Computed Properties

Molecular Weight:138.12
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:138.042927438
Monoisotopic Mass:138.042927438
Topological Polar Surface Area:57.8
Heavy Atom Count:10
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes