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289686-80-2 | Benzonitrile, 2-amino-4-chloro-5-methyl-
CAS No: 289686-80-2 Catalog No: AG002V14 MDL No:MFCD08437620
Product Description
Catalog Number:
AG002V14
Chemical Name:
Benzonitrile, 2-amino-4-chloro-5-methyl-
CAS Number:
289686-80-2
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD08437620
IUPAC Name:
2-amino-4-chloro-5-methylbenzonitrile
InChI:
InChI=1S/C8H7ClN2/c1-5-2-6(4-10)8(11)3-7(5)9/h2-3H,11H2,1H3
InChI Key:
UUWBRWXXBHDPMM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(cc1N)Cl
Properties
Complexity:
184
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:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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