200,000+ products from a single source!
sales@angenechem.com
245549-92-2 | Benzoic acid, 2,5-dibromo-4-methyl-, methyl ester
CAS No: 245549-92-2 Catalog No: AG002OIK MDL No:
Product Description
Catalog Number:
AG002OIK
Chemical Name:
Benzoic acid, 2,5-dibromo-4-methyl-, methyl ester
CAS Number:
245549-92-2
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
IUPAC Name:
methyl 2,5-dibromo-4-methylbenzoate
InChI:
InChI=1S/C9H8Br2O2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,1-2H3
InChI Key:
BITCLLVCMAMAMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1Br)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.