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3474-89-3 | 2-(4-Nitrophenyl)thiazole-4-carbaldehyde
CAS No: 3474-89-3 Catalog No: AG007CK7 MDL No:MFCD06738357
Product Description
Catalog Number:
AG007CK7
Chemical Name:
2-(4-Nitrophenyl)thiazole-4-carbaldehyde
CAS Number:
3474-89-3
Molecular Formula:
C10H6N2O3S
Molecular Weight:
234.2312
MDL Number:
MFCD06738357
IUPAC Name:
2-(4-nitrophenyl)-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C10H6N2O3S/c13-5-8-6-16-10(11-8)7-1-3-9(4-2-7)12(14)15/h1-6H
InChI Key:
IIXIIEWUDZDHKJ-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.229g/mol
Monoisotopic Mass:
234.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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