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100724-38-7 | Benzenamine, 4-[(2-methoxy-4-nitrophenyl)thio]-
CAS No: 100724-38-7 Catalog No: AG0002QF MDL No:
Product Description
Catalog Number:
AG0002QF
Chemical Name:
Benzenamine, 4-[(2-methoxy-4-nitrophenyl)thio]-
CAS Number:
100724-38-7
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
IUPAC Name:
4-(2-methoxy-4-nitrophenyl)sulfanylaniline
InChI:
InChI=1S/C13H12N2O3S/c1-18-12-8-10(15(16)17)4-7-13(12)19-11-5-2-9(14)3-6-11/h2-8H,14H2,1H3
InChI Key:
KGGNBGCCEGEOJN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Sc1ccc(cc1)N)[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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