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190260-22-1 | 1,2-Benzenedicarboxylic acid, 4,5-bis(bromomethyl)-, 1,2-dimethyl ester
CAS No: 190260-22-1 Catalog No: AG002EF8 MDL No:
Product Description
Catalog Number:
AG002EF8
Chemical Name:
1,2-Benzenedicarboxylic acid, 4,5-bis(bromomethyl)-, 1,2-dimethyl ester
CAS Number:
190260-22-1
Molecular Formula:
C12H12Br2O4
Molecular Weight:
380.0293
IUPAC Name:
dimethyl 4,5-bis(bromomethyl)benzene-1,2-dicarboxylate
InChI:
InChI=1S/C12H12Br2O4/c1-17-11(15)9-3-7(5-13)8(6-14)4-10(9)12(16)18-2/h3-4H,5-6H2,1-2H3
InChI Key:
DBZPOEAXTZVVDN-UHFFFAOYSA-N
SMILES:
BrCc1cc(C(=O)OC)c(cc1CBr)C(=O)OC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.908g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.032g/mol
Monoisotopic Mass:
377.91g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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