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20735-01-7 | Benzene, 2-bromo-1-(methylthio)-4-nitro-
CAS No: 20735-01-7 Catalog No: AG002IZQ MDL No:MFCD27947172
Product Description
Catalog Number:
AG002IZQ
Chemical Name:
Benzene, 2-bromo-1-(methylthio)-4-nitro-
CAS Number:
20735-01-7
Molecular Formula:
C7H6BrNO2S
Molecular Weight:
248.0970
MDL Number:
MFCD27947172
IUPAC Name:
2-bromo-1-methylsulfanyl-4-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2S/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChI Key:
PEIKFCQVYMNYBA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.094g/mol
Monoisotopic Mass:
246.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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