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Home > Nitro Compounds > 40611-33-4
40611-33-4 | 1-benzoyl-3-(4-nitrophenyl)thiourea
CAS No: 40611-33-4 Catalog No: AG00IN36 MDL No:MFCD00024627
Product Description
Catalog Number:
AG00IN36
Chemical Name:
1-benzoyl-3-(4-nitrophenyl)thiourea
CAS Number:
40611-33-4
Molecular Formula:
C14H11N3O3S
Molecular Weight:
301.3204
MDL Number:
MFCD00024627
IUPAC Name:
N-[(4-nitrophenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C14H11N3O3S/c18-13(10-4-2-1-3-5-10)16-14(21)15-11-6-8-12(9-7-11)17(19)20/h1-9H,(H2,15,16,18,21)
InChI Key:
YJMGBGAUFCFJGM-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.32g/mol
Monoisotopic Mass:
301.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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