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330793-38-9 | 4-Bromo-2-methoxybenzonitrile
CAS No: 330793-38-9 Catalog No: AG003KX1 MDL No:MFCD06738651
Product Description
Catalog Number:
AG003KX1
Chemical Name:
4-Bromo-2-methoxybenzonitrile
CAS Number:
330793-38-9
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD06738651
IUPAC Name:
4-bromo-2-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key:
QRUOZMVYROKPOO-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1C#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:
3.1
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