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867366-91-4 | 3-Bromo-5-methoxybenzonitrile
CAS No: 867366-91-4 Catalog No: AG003J30 MDL No:MFCD08061971
Product Description
Catalog Number:
AG003J30
Chemical Name:
3-Bromo-5-methoxybenzonitrile
CAS Number:
867366-91-4
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD08061971
IUPAC Name:
3-bromo-5-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3
InChI Key:
NNWRYZGZCCTKQW-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)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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