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89841-09-8 | Benzenemethanesulfonic acid, 4-chloro-2-nitro-, phenyl ester
CAS No: 89841-09-8 Catalog No: AG003XH8 MDL No:
Product Description
Catalog Number:
AG003XH8
Chemical Name:
Benzenemethanesulfonic acid, 4-chloro-2-nitro-, phenyl ester
CAS Number:
89841-09-8
Molecular Formula:
C13H10ClNO5S
Molecular Weight:
327.7402
IUPAC Name:
phenyl (4-chloro-2-nitrophenyl)methanesulfonate
InChI:
InChI=1S/C13H10ClNO5S/c14-11-7-6-10(13(8-11)15(16)17)9-21(18,19)20-12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
FIVMCWMMADMBOL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])CS(=O)(=O)Oc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.997g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.735g/mol
Monoisotopic Mass:
326.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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