Home Other Building Blocks 2-fluoro-3-(propan-2-yl)benzoic acid

2-fluoro-3-(propan-2-yl)benzoic acid

CAS No.:
1369805-45-7
Catalog Number:
AG01EL78
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
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Product Description
Catalog Number:
AG01EL78
Chemical Name:
2-fluoro-3-(propan-2-yl)benzoic acid
CAS Number:
1369805-45-7
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD30345464
IUPAC Name:
2-fluoro-3-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H11FO2/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
LSPSVPIJTNNZMS-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1F)C(=O)O)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties