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139626-20-3 | Benzenamine, 2-chloro-4-fluoro-5-nitro-
CAS No: 139626-20-3 Catalog No: AG001BEX MDL No:
Product Description
Catalog Number:
AG001BEX
Chemical Name:
Benzenamine, 2-chloro-4-fluoro-5-nitro-
CAS Number:
139626-20-3
Molecular Formula:
C6H4ClFN2O2
Molecular Weight:
190.5596
IUPAC Name:
2-chloro-4-fluoro-5-nitroaniline
InChI:
InChI=1S/C6H4ClFN2O2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H,9H2
InChI Key:
UBFIXJAFAZWURP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(cc1F)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.558g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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