Home Other Building Blocks 3-[(cyclopropylmethoxy)methyl]-4-fluorobenzoic acid

3-[(cyclopropylmethoxy)methyl]-4-fluorobenzoic acid

CAS No.:
1343367-59-8
Catalog Number:
AG019STS
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
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Product Description
Catalog Number:
AG019STS
Chemical Name:
3-[(cyclopropylmethoxy)methyl]-4-fluorobenzoic acid
CAS Number:
1343367-59-8
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
MDL Number:
MFCD17287618
IUPAC Name:
3-(cyclopropylmethoxymethyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C12H13FO3/c13-11-4-3-9(12(14)15)5-10(11)7-16-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,14,15)
InChI Key:
TZOUSMITFYIHON-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)COCC1CC1)F
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties