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Home > Aldehydes > 368868-29-5
368868-29-5 | 4-(tert-butyl)-2,5-difluorobenzaldehyde
CAS No: 368868-29-5 Catalog No: AG01BRFO MDL No:MFCD24684281
Product Description
Catalog Number:
AG01BRFO
Chemical Name:
4-(tert-butyl)-2,5-difluorobenzaldehyde
CAS Number:
368868-29-5
Molecular Formula:
C11H12F2O
Molecular Weight:
198.2092
MDL Number:
MFCD24684281
IUPAC Name:
4-tert-butyl-2,5-difluorobenzaldehyde
InChI:
InChI=1S/C11H12F2O/c1-11(2,3)8-5-9(12)7(6-14)4-10(8)13/h4-6H,1-3H3
InChI Key:
JWXJGTCZEKLFAX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(cc1F)C(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.213g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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