C1=CC(=C(C=C1N)[N+](=O)[O-])Cl
CAS: 635-22-3
Name: 4-chloro-3-nitroaniline
SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])Cl

Molecular Processing

Molecular formula
C6H5ClN2O2
Molecular weight
172.57
Exact mass
172.004
XLogP
1.83
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.52

Supplementary Information

InChIKey: FOHHWGVAOVDVLP-UHFFFAOYSA-N
Synonyme
4-Chloro-3-nitroaniline635-22-3Benzenamine, 4-chloro-3-nitro-Aniline, 4-chloro-3-nitro-3-NITRO-4-CHLOROANILINEDTXSID7052319B13U77ZL3ANSC-37397DTXCID8030891RefChem:98440211-231-3MFCD000078444-chloro-3-nitrophenylamineHSDB 54394-Amino-1-chloro-2-nitrobenzeneEINECS 211-231-3NSC 373974-chloro-3-nitro aniline4-chloro-3-nitro-anilineBRN 1309394UNII-B13U77ZL3A4-CHLORO-3-NITROBENZENAMINEWLN: ZR DG CNW2-chloro-5-aminonitrobenzene4-amino-2-nitrochlorobenzene4-12-00-01674 (Beilstein Handbook Reference)4-chloro-3-nitro-phenylamineSCHEMBL403986SCHEMBL541080SCHEMBL8316198
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