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1261499-40-4 | Benzonitrile, 5-(aminomethyl)-2-chloro-
CAS No: 1261499-40-4 Catalog No: AG000RTK MDL No:
Product Description
Catalog Number:
AG000RTK
Chemical Name:
Benzonitrile, 5-(aminomethyl)-2-chloro-
CAS Number:
1261499-40-4
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
IUPAC Name:
5-(aminomethyl)-2-chlorobenzonitrile
InChI:
InChI=1S/C8H7ClN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2
InChI Key:
YBAVDMUZYWKFRR-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C#N)Cl
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:
1.1
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