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158296-69-6 | Benzonitrile, 4-amino-3-chloro-5-methyl-
CAS No: 158296-69-6 Catalog No: AG001Q37 MDL No:MFCD00041476
Product Description
Catalog Number:
AG001Q37
Chemical Name:
Benzonitrile, 4-amino-3-chloro-5-methyl-
CAS Number:
158296-69-6
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD00041476
IUPAC Name:
4-amino-3-chloro-5-methylbenzonitrile
InChI:
InChI=1S/C8H7ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3
InChI Key:
NDTNVCCDQAOBSZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)Cl)N
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
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