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Home > Nitro Compounds > 1158735-14-8
1158735-14-8 | 4-(3-NITROPHENYL)-1,3-THIAZOLE
CAS No: 1158735-14-8 Catalog No: AG01C9ZD MDL No:MFCD11840210
Product Description
Catalog Number:
AG01C9ZD
Chemical Name:
4-(3-NITROPHENYL)-1,3-THIAZOLE
CAS Number:
1158735-14-8
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
MDL Number:
MFCD11840210
IUPAC Name:
4-(3-nitrophenyl)-1,3-thiazole
InChI:
InChI=1S/C9H6N2O2S/c12-11(13)8-3-1-2-7(4-8)9-5-14-6-10-9/h1-6H
InChI Key:
NDKYVRQAANNPQD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cscn1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.219g/mol
Monoisotopic Mass:
206.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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