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Home > Aldehydes > 133046-48-7
133046-48-7 | 4-Thiazolecarboxaldehyde, 2-(trifluoromethyl)-
CAS No: 133046-48-7 Catalog No: AG0011KC MDL No:MFCD10697902
Product Description
Catalog Number:
AG0011KC
Chemical Name:
4-Thiazolecarboxaldehyde, 2-(trifluoromethyl)-
CAS Number:
133046-48-7
Molecular Formula:
C5H2F3NOS
Molecular Weight:
181.1357
MDL Number:
MFCD10697902
IUPAC Name:
2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C5H2F3NOS/c6-5(7,8)4-9-3(1-10)2-11-4/h1-2H
InChI Key:
KOEUGSAJYCOTJL-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)C(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.132g/mol
Monoisotopic Mass:
180.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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