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2059955-85-8 | 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]thiophene-2-carbaldehyde
CAS No: 2059955-85-8 Catalog No: AG01BOMP MDL No:MFCD30499318
Product Description
Catalog Number:
AG01BOMP
Chemical Name:
5-[2-(difluoromethyl)-1,3-thiazol-5-yl]thiophene-2-carbaldehyde
CAS Number:
2059955-85-8
Molecular Formula:
C9H5F2NOS2
Molecular Weight:
245.2689
MDL Number:
MFCD30499318
IUPAC Name:
5-[2-(difluoromethyl)-1,3-thiazol-5-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H5F2NOS2/c10-8(11)9-12-3-7(15-9)6-2-1-5(4-13)14-6/h1-4,8H
InChI Key:
YLQVNSQZJJOBBS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cnc(s1)C(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.978g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.262g/mol
Monoisotopic Mass:
244.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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