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88241-22-9 | Carbamic acid, (chlorooxoacetyl)methyl-, 1-naphthalenyl ester
CAS No: 88241-22-9 Catalog No: AG004AN6 MDL No:
Product Description
Catalog Number:
AG004AN6
Chemical Name:
Carbamic acid, (chlorooxoacetyl)methyl-, 1-naphthalenyl ester
CAS Number:
88241-22-9
Molecular Formula:
C14H10ClNO4
Molecular Weight:
291.6865
IUPAC Name:
naphthalen-1-yl N-(3-chloro-2,3-dioxopropyl)carbamate
InChI:
InChI=1S/C14H10ClNO4/c15-13(18)11(17)8-16-14(19)20-12-7-3-5-9-4-1-2-6-10(9)12/h1-7H,8H2,(H,16,19)
InChI Key:
RFUDMFITWQDTJK-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccc2c1cccc2)NCC(=O)C(=O)Cl
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.687g/mol
Monoisotopic Mass:
291.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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