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88692-29-9 | (2-bromo-4-cyano-6-nitro-phenyl) phenyl carbonate
CAS No: 88692-29-9 Catalog No: AG0047NP MDL No:
Product Description
Catalog Number:
AG0047NP
Chemical Name:
(2-bromo-4-cyano-6-nitro-phenyl) phenyl carbonate
CAS Number:
88692-29-9
Molecular Formula:
C14H7BrN2O5
Molecular Weight:
363.1198
IUPAC Name:
(2-bromo-4-cyano-6-nitrophenyl) phenyl carbonate
InChI:
InChI=1S/C14H7BrN2O5/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:
RWDJRNKSUSKLFI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)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:
361.954g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.123g/mol
Monoisotopic Mass:
361.954g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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