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Home > Nitro Compounds > 90972-21-7
90972-21-7 | 1-nitro-3-(propylsulfanyl)benzene
CAS No: 90972-21-7 Catalog No: AG00IGDM MDL No:
Product Description
Catalog Number:
AG00IGDM
Chemical Name:
1-nitro-3-(propylsulfanyl)benzene
CAS Number:
90972-21-7
IUPAC Name:
1-nitro-3-propylsulfanylbenzene
InChI:
InChI=1S/C9H11NO2S/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3
InChI Key:
PSMSVJKCSYNAJC-UHFFFAOYSA-N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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