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Home > Nitro Compounds > 175277-84-6
175277-84-6 | Benzenecarbothioamide, 4-methoxy-3-nitro-
CAS No: 175277-84-6 Catalog No: AG0020SW MDL No:MFCD00276985
Product Description
Catalog Number:
AG0020SW
Chemical Name:
Benzenecarbothioamide, 4-methoxy-3-nitro-
CAS Number:
175277-84-6
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD00276985
IUPAC Name:
4-methoxy-3-nitrobenzenecarbothioamide
InChI:
InChI=1S/C8H8N2O3S/c1-13-7-3-2-5(8(9)14)4-6(7)10(11)12/h2-4H,1H3,(H2,9,14)
InChI Key:
UJOANRRVCDTJTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(=S)N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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