Home Other Building Blocks 2-tert-butyl-3-fluorobenzoic acid

2-tert-butyl-3-fluorobenzoic acid

CAS No.:
1369777-27-4
Catalog Number:
AG01DVYJ
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
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Product Description
Catalog Number:
AG01DVYJ
Chemical Name:
2-tert-butyl-3-fluorobenzoic acid
CAS Number:
1369777-27-4
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
MDL Number:
MFCD28356759
IUPAC Name:
2-tert-butyl-3-fluorobenzoic acid
InChI:
InChI=1S/C11H13FO2/c1-11(2,3)9-7(10(13)14)5-4-6-8(9)12/h4-6H,1-3H3,(H,13,14)
InChI Key:
GYMPESLWWOJLMD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(C)(C)C)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties