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26196-45-2 | 1,4-Benzenediamine, 2-chloro-5-nitro-
CAS No: 26196-45-2 Catalog No: AG002S84 MDL No:MFCD00190136
Product Description
Catalog Number:
AG002S84
Chemical Name:
1,4-Benzenediamine, 2-chloro-5-nitro-
CAS Number:
26196-45-2
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
MDL Number:
MFCD00190136
IUPAC Name:
2-chloro-5-nitrobenzene-1,4-diamine
InChI:
InChI=1S/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2
InChI Key:
VUNAQOGRLGNALG-UHFFFAOYSA-N
SMILES:
Nc1cc([N+](=O)[O-])c(cc1Cl)N
EC Number:
247-515-9
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:
1.6
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