Home Halogens 5-chloro-3-nitro-o-phenylenediamine

5-chloro-3-nitro-o-phenylenediamine

CAS No.:
42389-30-0
Catalog Number:
AG00CRUD
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
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Product Description
Catalog Number:
AG00CRUD
Chemical Name:
5-chloro-3-nitro-o-phenylenediamine
CAS Number:
42389-30-0
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
MDL Number:
MFCD25963389
IUPAC Name:
5-chloro-3-nitrobenzene-1,2-diamine
InChI:
InChI=1S/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
InChI Key:
PIPKLZRJGNJMBY-UHFFFAOYSA-N
SMILES:
Clc1cc(N)c(c(c1)[N+](=O)[O-])N
EC Number:
255-792-2
UNII:
5F2BK3NSLK
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.583g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties