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Home > Nitro Compounds > 200629-13-6
200629-13-6 | 1-(2-hydroxy-1-phenylethyl)-3-(4-nitrophenyl)thiourea
CAS No: 200629-13-6 Catalog No: AG00ITYK MDL No:MFCD01316011
Product Description
Catalog Number:
AG00ITYK
Chemical Name:
1-(2-hydroxy-1-phenylethyl)-3-(4-nitrophenyl)thiourea
CAS Number:
200629-13-6
Molecular Formula:
C15H15N3O3S
Molecular Weight:
317.3629
MDL Number:
MFCD01316011
IUPAC Name:
1-(2-hydroxy-1-phenylethyl)-3-(4-nitrophenyl)thiourea
InChI:
InChI=1S/C15H15N3O3S/c19-10-14(11-4-2-1-3-5-11)17-15(22)16-12-6-8-13(9-7-12)18(20)21/h1-9,14,19H,10H2,(H2,16,17,22)
InChI Key:
NECULEPDWKBUOF-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)NC(=S)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.363g/mol
Monoisotopic Mass:
317.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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