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Home > Bromides > 1261816-95-8
1261816-95-8 | Benzonitrile, 2-bromo-3-methoxy-
CAS No: 1261816-95-8 Catalog No: AG000S10 MDL No:MFCD09834772
Product Description
Catalog Number:
AG000S10
Chemical Name:
Benzonitrile, 2-bromo-3-methoxy-
CAS Number:
1261816-95-8
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD09834772
IUPAC Name:
2-bromo-3-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
InChI Key:
FQKUIMZTAJYITH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1Br)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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