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23153-09-5 | Benzenamine, 4-(methylthio)-2-nitro-
CAS No: 23153-09-5 Catalog No: AG002MDU MDL No:MFCD10568171
Product Description
Catalog Number:
AG002MDU
Chemical Name:
Benzenamine, 4-(methylthio)-2-nitro-
CAS Number:
23153-09-5
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD10568171
IUPAC Name:
4-methylsulfanyl-2-nitroaniline
InChI:
InChI=1S/C7H8N2O2S/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
InChI Key:
LWFOZCFJVOGQAM-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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