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155863-35-7 | Benzoic acid, 3-(bromomethyl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 155863-35-7 Catalog No: AG001OAZ MDL No:
Product Description
Catalog Number:
AG001OAZ
Chemical Name:
Benzoic acid, 3-(bromomethyl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
155863-35-7
Molecular Formula:
C12H10BrNO4
Molecular Weight:
312.1161
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-(bromomethyl)benzoate
InChI:
InChI=1S/C12H10BrNO4/c13-7-8-2-1-3-9(6-8)12(17)18-14-10(15)4-5-11(14)16/h1-3,6H,4-5,7H2
InChI Key:
BHXBPWLMEXGVCV-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)C(=O)ON1C(=O)CCC1=O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.119g/mol
Monoisotopic Mass:
310.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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