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180150-18-9 | Benzeneacetonitrile, 4-amino-2-chloro-
CAS No: 180150-18-9 Catalog No: AG0021QM MDL No:
Product Description
Catalog Number:
AG0021QM
Chemical Name:
Benzeneacetonitrile, 4-amino-2-chloro-
CAS Number:
180150-18-9
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
IUPAC Name:
2-(4-amino-2-chlorophenyl)acetonitrile
InChI:
InChI=1S/C8H7ClN2/c9-8-5-7(11)2-1-6(8)3-4-10/h1-2,5H,3,11H2
InChI Key:
RLBHCLJUVIJFNB-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1Cl)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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