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Home > Nitro Compounds > 903852-44-8
903852-44-8 | 3-{[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl}-1,3-benzoxazol-2(3H)-one
CAS No: 903852-44-8 Catalog No: AG00JGMP MDL No:MFCD08293296
Product Description
Catalog Number:
AG00JGMP
Chemical Name:
3-{[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl}-1,3-benzoxazol-2(3H)-one
CAS Number:
903852-44-8
Molecular Formula:
C17H11N3O4S
Molecular Weight:
353.3519
MDL Number:
MFCD08293296
IUPAC Name:
3-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]-1,3-benzoxazol-2-one
InChI:
InChI=1S/C17H11N3O4S/c21-17-19(14-3-1-2-4-15(14)24-17)9-12-10-25-16(18-12)11-5-7-13(8-6-11)20(22)23/h1-8,10H,9H2
InChI Key:
SFRPRRYYJJRCMC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1scc(n1)Cn1c(=O)oc2c1cccc2
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.352g/mol
Monoisotopic Mass:
353.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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