200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1232424-44-0
1232424-44-0 | Benzoic acid, 4-bromo-3-cyano-, methyl ester
CAS No: 1232424-44-0 Catalog No: AG000K7Y MDL No:MFCD18398742
Product Description
Catalog Number:
AG000K7Y
Chemical Name:
Benzoic acid, 4-bromo-3-cyano-, methyl ester
CAS Number:
1232424-44-0
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD18398742
IUPAC Name:
methyl 4-bromo-3-cyanobenzoate
InChI:
InChI=1S/C9H6BrNO2/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4H,1H3
InChI Key:
OAXDJXKMGGXRNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C#N)Br
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.