Home Other Building Blocks 3-(3-fluorophenyl)butanoic acid

3-(3-fluorophenyl)butanoic acid

CAS No.:
1042815-12-2
Catalog Number:
AG01AIZM
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
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Product Description
Catalog Number:
AG01AIZM
Chemical Name:
3-(3-fluorophenyl)butanoic acid
CAS Number:
1042815-12-2
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD11172867
IUPAC Name:
3-(3-fluorophenyl)butanoic acid
InChI:
InChI=1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)
InChI Key:
CVFYWUHOFYTCNJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)F)C
Properties
Complexity:
182  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties