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189628-40-8 | Benzonitrile, 4-chloro-3-methoxy-
CAS No: 189628-40-8 Catalog No: AG002DTE MDL No:MFCD09753729
Product Description
Catalog Number:
AG002DTE
Chemical Name:
Benzonitrile, 4-chloro-3-methoxy-
CAS Number:
189628-40-8
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD09753729
IUPAC Name:
4-chloro-3-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChI Key:
QTTDNAJLJBSQPY-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1Cl
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:
2.4
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