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88692-37-9 | Carbonic acid, 2-chloro-4-cyano-6-nitrophenyl phenyl ester
CAS No: 88692-37-9 Catalog No: AG0046MN MDL No:
Product Description
Catalog Number:
AG0046MN
Chemical Name:
Carbonic acid, 2-chloro-4-cyano-6-nitrophenyl phenyl ester
CAS Number:
88692-37-9
Molecular Formula:
C14H7ClN2O5
Molecular Weight:
318.6688
IUPAC Name:
(2-chloro-4-cyano-6-nitrophenyl) phenyl carbonate
InChI:
InChI=1S/C14H7ClN2O5/c15-11-6-9(8-16)7-12(17(19)20)13(11)22-14(18)21-10-4-2-1-3-5-10/h1-7H
InChI Key:
JQJHKPKBYRIDDS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)[N+](=O)[O-])OC(=O)Oc1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.004g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.669g/mol
Monoisotopic Mass:
318.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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