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1965305-02-5 | 2-(2-Amino-5-nitrophenyl)-5-methyl-4-phenylthiazole
CAS No: 1965305-02-5 Catalog No: AG01F8VF MDL No:
Product Description
Catalog Number:
AG01F8VF
Chemical Name:
2-(2-Amino-5-nitrophenyl)-5-methyl-4-phenylthiazole
CAS Number:
1965305-02-5
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
IUPAC Name:
2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-nitroaniline
InChI:
InChI=1S/C16H13N3O2S/c1-10-15(11-5-3-2-4-6-11)18-16(22-10)13-9-12(19(20)21)7-8-14(13)17/h2-9H,17H2,1H3
InChI Key:
UCBKPBJMEXATSY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1c1nc(c(s1)C)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.359g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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