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Home > Bromides > 1223434-15-8
1223434-15-8 | Benzoic acid, 4-bromo-2-cyano-, methyl ester
CAS No: 1223434-15-8 Catalog No: AG00174B MDL No:MFCD18398741
Product Description
Catalog Number:
AG00174B
Chemical Name:
Benzoic acid, 4-bromo-2-cyano-, methyl ester
CAS Number:
1223434-15-8
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD18398741
IUPAC Name:
methyl 4-bromo-2-cyanobenzoate
InChI:
InChI=1S/C9H6BrNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChI Key:
APAVVMSHHACFQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C#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
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