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102151-33-7 | Benzonitrile, 3-chloro-4-methoxy-
CAS No: 102151-33-7 Catalog No: AG0006R7 MDL No:MFCD03093073
Product Description
Catalog Number:
AG0006R7
Chemical Name:
Benzonitrile, 3-chloro-4-methoxy-
CAS Number:
102151-33-7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD03093073
IUPAC Name:
3-chloro-4-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key:
SUFOLDHSHRVSQV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)OC
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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