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Home > Aldehydes > 1123172-37-1
1123172-37-1 | 3-(tert-butyl)-5-fluorobenzaldehyde
CAS No: 1123172-37-1 Catalog No: AG0091N6 MDL No:MFCD24387185
Product Description
Catalog Number:
AG0091N6
Chemical Name:
3-(tert-butyl)-5-fluorobenzaldehyde
CAS Number:
1123172-37-1
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
MDL Number:
MFCD24387185
IUPAC Name:
3-tert-butyl-5-fluorobenzaldehyde
InChI:
InChI=1S/C11H13FO/c1-11(2,3)9-4-8(7-13)5-10(12)6-9/h4-7H,1-3H3
InChI Key:
YJHLPVRRCMLBFU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1)C(C)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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