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Home > Nitro Compounds > 21010-35-5
21010-35-5 | Benzenecarbothioamide, 4-methoxy-N-methyl-N-(4-nitrophenyl)-
CAS No: 21010-35-5 Catalog No: AG002KKE MDL No:
Product Description
Catalog Number:
AG002KKE
Chemical Name:
Benzenecarbothioamide, 4-methoxy-N-methyl-N-(4-nitrophenyl)-
CAS Number:
21010-35-5
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
IUPAC Name:
4-methoxy-N-methyl-N-(4-nitrophenyl)benzenecarbothioamide
InChI:
InChI=1S/C15H14N2O3S/c1-16(12-5-7-13(8-6-12)17(18)19)15(21)11-3-9-14(20-2)10-4-11/h3-10H,1-2H3
InChI Key:
IDQOTPHZCZWMJE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=S)N(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.348g/mol
Monoisotopic Mass:
302.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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