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Home > Nitro Compounds > 70415-85-9
70415-85-9 | Benzene, 1-[(1-methylethyl)thio]-2-nitro-
CAS No: 70415-85-9 Catalog No: AG00IC25 MDL No:MFCD13689000
Product Description
Catalog Number:
AG00IC25
Chemical Name:
Benzene, 1-[(1-methylethyl)thio]-2-nitro-
CAS Number:
70415-85-9
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD13689000
IUPAC Name:
1-nitro-2-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C9H11NO2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChI Key:
WRFYXBKJHZAUTO-UHFFFAOYSA-N
SMILES:
CC(Sc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
179
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:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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