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113556-18-6 | Propanedioic acid, 2-bromo-2-phenyl-, 1,3-dimethyl ester
CAS No: 113556-18-6 Catalog No: AG0008ZE MDL No:
Product Description
Catalog Number:
AG0008ZE
Chemical Name:
Propanedioic acid, 2-bromo-2-phenyl-, 1,3-dimethyl ester
CAS Number:
113556-18-6
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
IUPAC Name:
dimethyl 2-bromo-2-phenylpropanedioate
InChI:
InChI=1S/C11H11BrO4/c1-15-9(13)11(12,10(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
TYJQPOIJESXIDW-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1)(C(=O)OC)Br
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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