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261764-92-5

261764-92-5 | 1,3-Benzenediamine, 2-chloro-4-nitro-

CAS No: 261764-92-5 Catalog No: AG002S37 MDL No:MFCD08460155

Product Description

Catalog Number:
AG002S37
Chemical Name:
1,3-Benzenediamine, 2-chloro-4-nitro-
CAS Number:
261764-92-5
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
MDL Number:
MFCD08460155
IUPAC Name:
2-chloro-4-nitrobenzene-1,3-diamine
InChI:
InChI=1S/C6H6ClN3O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,8-9H2
InChI Key:
NTLGTOMYCVBTHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1N)Cl)N

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  

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