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100960-68-7 | Benzonitrile, 4-chloro-2-methoxy-
CAS No: 100960-68-7 Catalog No: AG0003BH MDL No:MFCD09865166
Product Description
Catalog Number:
AG0003BH
Chemical Name:
Benzonitrile, 4-chloro-2-methoxy-
CAS Number:
100960-68-7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD09865166
IUPAC Name:
4-chloro-2-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key:
RMEKKIFVJZOQEG-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)ccc1C#N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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