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Home > Nitro Compounds > 74074-30-9
74074-30-9 | Carbamimidothioic acid, N-(4-nitrobenzoyl)-N'-phenyl-, methyl ester
CAS No: 74074-30-9 Catalog No: AG005HMP MDL No:
Product Description
Catalog Number:
AG005HMP
Chemical Name:
Carbamimidothioic acid, N-(4-nitrobenzoyl)-N'-phenyl-, methyl ester
CAS Number:
74074-30-9
Molecular Formula:
C15H13N3O3S
Molecular Weight:
315.3470
IUPAC Name:
methyl N-(4-nitrobenzoyl)-N'-phenylcarbamimidothioate
InChI:
InChI=1S/C15H13N3O3S/c1-22-15(16-12-5-3-2-4-6-12)17-14(19)11-7-9-13(10-8-11)18(20)21/h2-10H,1H3,(H,16,17,19)
InChI Key:
WLMLBORPWWGQOA-UHFFFAOYSA-N
SMILES:
CSC(=Nc1ccccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.347g/mol
Monoisotopic Mass:
315.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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