Home Other Building Blocks 2-CYCLOPROPYL-4-FLUOROBENZOIC ACID

2-CYCLOPROPYL-4-FLUOROBENZOIC ACID

CAS No.:
959992-79-1
Catalog Number:
AG01C7B3
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
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Product Description
Catalog Number:
AG01C7B3
Chemical Name:
2-CYCLOPROPYL-4-FLUOROBENZOIC ACID
CAS Number:
959992-79-1
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
MDL Number:
MFCD16778838
IUPAC Name:
2-cyclopropyl-4-fluorobenzoic acid
InChI:
InChI=1S/C10H9FO2/c11-7-3-4-8(10(12)13)9(5-7)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChI Key:
ILZHOPCOIVKLDI-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C1CC1)C(=O)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties