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Home > Nitro Compounds > 72602-73-4
72602-73-4 | 1-(2-Nitrophenyl)-3-phenylthiourea
CAS No: 72602-73-4 Catalog No: AG005QKO MDL No:MFCD00024203
Product Description
Catalog Number:
AG005QKO
Chemical Name:
1-(2-Nitrophenyl)-3-phenylthiourea
CAS Number:
72602-73-4
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
MDL Number:
MFCD00024203
IUPAC Name:
1-(2-nitrophenyl)-3-phenylthiourea
InChI:
InChI=1S/C13H11N3O2S/c17-16(18)12-9-5-4-8-11(12)15-13(19)14-10-6-2-1-3-7-10/h1-9H,(H2,14,15,19)
InChI Key:
YNLDZXYYXGYXNA-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1[N+](=O)[O-])Nc1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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