C1=CC(=C(C=C1N)Cl)C#N
CAS: 20925-27-3
الاسم: 4-amino-2-chlorobenzonitrile
SMILES: C1=CC(=C(C=C1N)Cl)C#N

Molecular Processing

Molecular formula
C7H5ClN2
Molecular weight
152.58
Exact mass
152.0141
XLogP
1.79
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.58

Supplementary Information

InChIKey: ZFBKYGFPUCUYIF-UHFFFAOYSA-N
مرادفات
4-Amino-2-chlorobenzonitrile20925-27-3Benzonitrile, 4-amino-2-chloro-3-Chloro-4-cyanoaniline2-CHLORO-4-AMINOBENZONITRILEWYJ3C99GPFDTXSID20175082EINECS 244-114-0RefChem:97695DTXCID1097573244-114-0ZFBKYGFPUCUYIF-UHFFFAOYSA-NMFCD000359264-amino-2-chloro-benzonitrile4-amino-2-chlorobenzenecarbonitrile4-cyano-3-chloroanilineUNII-WYJ3C99GPF3-Chloro-4-cyanobenzenamineSCHEMBL171717SCHEMBL6650319SCHEMBL27932417SCHEMBL27943551SCHEMBL297264914-Amino-2-chlorobenzonitrile, 99%CK2152SBB004052AKOS000120852AC-4015CS-W016289FA46636
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