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138642-47-4 | Benzonitrile, 2-bromo-5-methoxy-
CAS No: 138642-47-4 Catalog No: AG0018XM MDL No:MFCD01861260
Product Description
Catalog Number:
AG0018XM
Chemical Name:
Benzonitrile, 2-bromo-5-methoxy-
CAS Number:
138642-47-4
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD01861260
IUPAC Name:
2-bromo-5-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChI Key:
ZQONVYONOASKIY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C#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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