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79-87-8 | benzenesulfonanilide, 2-chloro-n-ethyl-5-nitro-
CAS No: 79-87-8 Catalog No: AG00551O MDL No:
Product Description
Catalog Number:
AG00551O
Chemical Name:
benzenesulfonanilide, 2-chloro-n-ethyl-5-nitro-
CAS Number:
79-87-8
Molecular Formula:
C14H13ClN2O4S
Molecular Weight:
340.7820
IUPAC Name:
2-chloro-N-ethyl-5-nitro-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C14H13ClN2O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2H2,1H3
InChI Key:
LZQPFRQJBCMKTR-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1S(=O)(=O)Nc1ccccc1)[N+](=O)[O-]
NSC Number:
15371
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.778g/mol
Monoisotopic Mass:
340.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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