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Home > Nitro Compounds > 860651-32-7
860651-32-7 | 2-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CAS No: 860651-32-7 Catalog No: AG00IPZE MDL No:MFCD04124392
Product Description
Catalog Number:
AG00IPZE
Chemical Name:
2-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CAS Number:
860651-32-7
Molecular Formula:
C13H9N3O3S2
Molecular Weight:
319.3589
MDL Number:
MFCD04124392
IUPAC Name:
2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
InChI:
InChI=1S/C13H9N3O3S2/c17-11-7-21-13(15-11)5-12-14-10(6-20-12)8-2-1-3-9(4-8)16(18)19/h1-4,6-7,17H,5H2
InChI Key:
VLSMUUZFUHPCLB-UHFFFAOYSA-N
SMILES:
Oc1csc(n1)Cc1scc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.009g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.353g/mol
Monoisotopic Mass:
319.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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