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874472-98-7 | 3-Bromo-2-methoxybenzonitrile
CAS No: 874472-98-7 Catalog No: AG004FUE MDL No:MFCD09834773
Product Description
Catalog Number:
AG004FUE
Chemical Name:
3-Bromo-2-methoxybenzonitrile
CAS Number:
874472-98-7
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD09834773
IUPAC Name:
3-bromo-2-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3
InChI Key:
ONHVKHDUTPBVBT-UHFFFAOYSA-N
SMILES:
COc1c(C#N)cccc1Br
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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