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99523-16-7 | 1,4-dimethyl 2-bromo-2-(bromomethyl)butanedioate
CAS No: 99523-16-7 Catalog No: AG01EIRT MDL No:
Product Description
Catalog Number:
AG01EIRT
Chemical Name:
1,4-dimethyl 2-bromo-2-(bromomethyl)butanedioate
CAS Number:
99523-16-7
Molecular Formula:
C7H10Br2O4
Molecular Weight:
317.9599
IUPAC Name:
dimethyl 2-bromo-2-(bromomethyl)butanedioate
InChI:
InChI=1S/C7H10Br2O4/c1-12-5(10)3-7(9,4-8)6(11)13-2/h3-4H2,1-2H3
InChI Key:
NVLKUHRSYHVQPD-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)OC)(CBr)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.893g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.961g/mol
Monoisotopic Mass:
315.895g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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