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Home > Nitro Compounds > 19249-95-7
19249-95-7 | 3-(4-nitrobenzoyl)-1-(4-nitrophenyl)thiourea
CAS No: 19249-95-7 Catalog No: AG00IOXK MDL No:MFCD01568184
Product Description
Catalog Number:
AG00IOXK
Chemical Name:
3-(4-nitrobenzoyl)-1-(4-nitrophenyl)thiourea
CAS Number:
19249-95-7
Molecular Formula:
C14H10N4O5S
Molecular Weight:
346.3180
MDL Number:
MFCD01568184
IUPAC Name:
4-nitro-N-[(4-nitrophenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C14H10N4O5S/c19-13(9-1-5-11(6-2-9)17(20)21)16-14(24)15-10-3-7-12(8-4-10)18(22)23/h1-8H,(H2,15,16,19,24)
InChI Key:
OBZOTQJIUPWICF-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.037g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.317g/mol
Monoisotopic Mass:
346.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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