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1199-36-6 | Benzene, 1-chloro-4-(methylthio)-2-nitro-
CAS No: 1199-36-6 Catalog No: AG000PUZ MDL No:MFCD22488827
Product Description
Catalog Number:
AG000PUZ
Chemical Name:
Benzene, 1-chloro-4-(methylthio)-2-nitro-
CAS Number:
1199-36-6
Molecular Formula:
C7H6ClNO2S
Molecular Weight:
203.6460
MDL Number:
MFCD22488827
IUPAC Name:
1-chloro-4-methylsulfanyl-2-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2S/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChI Key:
UFLRXTNPCRROEB-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)[N+](=O)[O-])Cl
EC Number:
214-843-9
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.64g/mol
Monoisotopic Mass:
202.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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