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88015-89-8 | Carbamic acid, (3-bromophenyl)-, 5-oxo-3-pyrrolidinyl ester
CAS No: 88015-89-8 Catalog No: AG004JT2 MDL No:
Product Description
Catalog Number:
AG004JT2
Chemical Name:
Carbamic acid, (3-bromophenyl)-, 5-oxo-3-pyrrolidinyl ester
CAS Number:
88015-89-8
Molecular Formula:
C11H11BrN2O3
Molecular Weight:
299.1206
IUPAC Name:
(5-oxopyrrolidin-3-yl) N-(3-bromophenyl)carbamate
InChI:
InChI=1S/C11H11BrN2O3/c12-7-2-1-3-8(4-7)14-11(16)17-9-5-10(15)13-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16)
InChI Key:
DUHVTINTILNWTG-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)OC(=O)Nc1cccc(c1)Br
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.124g/mol
Monoisotopic Mass:
297.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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