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140860-51-1 | Benzonitrile, 2-bromo-4-methoxy-
CAS No: 140860-51-1 Catalog No: AG001CXL MDL No:MFCD09056764
Product Description
Catalog Number:
AG001CXL
Chemical Name:
Benzonitrile, 2-bromo-4-methoxy-
CAS Number:
140860-51-1
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD09056764
IUPAC Name:
2-bromo-4-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChI Key:
IZFNZTNQBIHNCD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Br)C#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:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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