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2060038-96-0 | 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
CAS No: 2060038-96-0 Catalog No: AG01BOMB MDL No:MFCD30499304
Product Description
Catalog Number:
AG01BOMB
Chemical Name:
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
CAS Number:
2060038-96-0
Molecular Formula:
C11H7F2NOS
Molecular Weight:
239.2412
MDL Number:
MFCD30499304
IUPAC Name:
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
InChI:
InChI=1S/C11H7F2NOS/c12-10(13)11-14-5-9(16-11)8-4-2-1-3-7(8)6-15/h1-6,10H
InChI Key:
BKJOJDIGFGYXHQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1cnc(s1)C(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.24g/mol
Monoisotopic Mass:
239.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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