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101252-73-7 | Benzenemethanamine, 2-chloro-6-nitro-
CAS No: 101252-73-7 Catalog No: AG00042F MDL No:
Product Description
Catalog Number:
AG00042F
Chemical Name:
Benzenemethanamine, 2-chloro-6-nitro-
CAS Number:
101252-73-7
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
IUPAC Name:
(2-chloro-6-nitrophenyl)methanamine
InChI:
InChI=1S/C7H7ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H,4,9H2
InChI Key:
SPLDTOFRTGVWKF-UHFFFAOYSA-N
SMILES:
NCc1c(Cl)cccc1[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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