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88016-04-0 | Carbamic acid, (2,6-dichlorophenyl)-, (5-oxo-3-pyrrolidinyl)methyl ester
CAS No: 88016-04-0 Catalog No: AG004NV2 MDL No:
Product Description
Catalog Number:
AG004NV2
Chemical Name:
Carbamic acid, (2,6-dichlorophenyl)-, (5-oxo-3-pyrrolidinyl)methyl ester
CAS Number:
88016-04-0
Molecular Formula:
C12H12Cl2N2O3
Molecular Weight:
303.1413
IUPAC Name:
(5-oxopyrrolidin-3-yl)methyl N-(2,6-dichlorophenyl)carbamate
InChI:
InChI=1S/C12H12Cl2N2O3/c13-8-2-1-3-9(14)11(8)16-12(18)19-6-7-4-10(17)15-5-7/h1-3,7H,4-6H2,(H,15,17)(H,16,18)
InChI Key:
PXAZVSKVUSEBST-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)COC(=O)Nc1c(Cl)cccc1Cl
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.139g/mol
Monoisotopic Mass:
302.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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