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Home > Nitro Compounds > 24524-95-6
24524-95-6 | Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
CAS No: 24524-95-6 Catalog No: AG002OFK MDL No:
Product Description
Catalog Number:
AG002OFK
Chemical Name:
Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
CAS Number:
24524-95-6
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
S-ethyl 4-nitrobenzenecarbothioate
InChI:
InChI=1S/C9H9NO3S/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChI Key:
OCUSVOYGBFETNB-UHFFFAOYSA-N
SMILES:
CCSC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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