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Home > Nitro Compounds > 1461707-35-6
1461707-35-6 | 2-[(cyclopentylmethyl)sulfanyl]-5-nitrobenzoic acid
CAS No: 1461707-35-6 Catalog No: AG01A6WJ MDL No:MFCD18923420
Product Description
Catalog Number:
AG01A6WJ
Chemical Name:
2-[(cyclopentylmethyl)sulfanyl]-5-nitrobenzoic acid
CAS Number:
1461707-35-6
MDL Number:
MFCD18923420
IUPAC Name:
2-(cyclopentylmethylsulfanyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C13H15NO4S/c15-13(16)11-7-10(14(17)18)5-6-12(11)19-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
InChI Key:
WHWTXTMAIPDXHW-UHFFFAOYSA-N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.326g/mol
Monoisotopic Mass:
281.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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