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Home > Nitro Compounds > 39541-91-8
39541-91-8 | Thiazole, 2-methyl-4-(3-nitrophenyl)-
CAS No: 39541-91-8 Catalog No: AG00I7S3 MDL No:MFCD00838954
Product Description
Catalog Number:
AG00I7S3
Chemical Name:
Thiazole, 2-methyl-4-(3-nitrophenyl)-
CAS Number:
39541-91-8
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD00838954
IUPAC Name:
2-methyl-4-(3-nitrophenyl)-1,3-thiazole
InChI:
InChI=1S/C10H8N2O2S/c1-7-11-10(6-15-7)8-3-2-4-9(5-8)12(13)14/h2-6H,1H3
InChI Key:
VWKXLZKNKFOCCW-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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