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1245647-50-0 | Benzonitrile, 2-bromo-6-methoxy-
CAS No: 1245647-50-0 Catalog No: AG000MBX MDL No:MFCD09834771
Product Description
Catalog Number:
AG000MBX
Chemical Name:
Benzonitrile, 2-bromo-6-methoxy-
CAS Number:
1245647-50-0
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD09834771
IUPAC Name:
2-bromo-6-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
InChI Key:
BRGJGSKDCPXSHB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C#N)Br
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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