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128577-48-0 | Benzoic acid, 2-bromo-4-(bromomethyl)-, methyl ester
CAS No: 128577-48-0 Catalog No: AG000Y7J MDL No:MFCD03840738
Product Description
Catalog Number:
AG000Y7J
Chemical Name:
Benzoic acid, 2-bromo-4-(bromomethyl)-, methyl ester
CAS Number:
128577-48-0
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD03840738
IUPAC Name:
methyl 2-bromo-4-(bromomethyl)benzoate
InChI:
InChI=1S/C9H8Br2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,5H2,1H3
InChI Key:
ZTDXOVAPGGNGSD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Br)CBr
Properties
Complexity:
185
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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