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Home > Nitro Compounds > 1282254-35-6
1282254-35-6 | 2-(cyclopentylsulfanyl)-5-nitrobenzoic acid
CAS No: 1282254-35-6 Catalog No: AG01A3GH MDL No:MFCD19444127
Product Description
Catalog Number:
AG01A3GH
Chemical Name:
2-(cyclopentylsulfanyl)-5-nitrobenzoic acid
CAS Number:
1282254-35-6
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
MDL Number:
MFCD19444127
IUPAC Name:
2-cyclopentylsulfanyl-5-nitrobenzoic acid
InChI:
InChI=1S/C12H13NO4S/c14-12(15)10-7-8(13(16)17)5-6-11(10)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChI Key:
IROZTJFPECGGGS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1SC1CCCC1)[N+](=O)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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