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Home > Nitro Compounds > 7205-63-2
7205-63-2 | Benzene,1-[(1-methylethyl)thio]-4-nitro-
CAS No: 7205-63-2 Catalog No: AG005DBD MDL No:MFCD21985412
Product Description
Catalog Number:
AG005DBD
Chemical Name:
Benzene,1-[(1-methylethyl)thio]-4-nitro-
CAS Number:
7205-63-2
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD21985412
IUPAC Name:
1-nitro-4-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C9H11NO2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3
InChI Key:
AZXGKMBWQRKTQP-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)[N+](=O)[O-])C
EC Number:
230-576-0
Properties
Complexity:
171
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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