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27826-42-2 | Benzene, 1-nitro-4-(propylthio)-
CAS No: 27826-42-2 Catalog No: AG00I58F MDL No:
Product Description
Catalog Number:
AG00I58F
Chemical Name:
Benzene, 1-nitro-4-(propylthio)-
CAS Number:
27826-42-2
IUPAC Name:
1-nitro-4-propylsulfanylbenzene
InChI:
InChI=1S/C9H11NO2S/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
ZKRRTBXZRJXUJO-UHFFFAOYSA-N
NSC Number:
243662
Properties
Complexity:
162
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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