Home Other Building Blocks methyl 2-[(3,4-difluorophenyl)(hydroxy)methyl]prop-2-enoate

methyl 2-[(3,4-difluorophenyl)(hydroxy)methyl]prop-2-enoate

CAS No.:
1019127-48-0
Catalog Number:
AG01A6BK
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
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Product Description
Catalog Number:
AG01A6BK
Chemical Name:
methyl 2-[(3,4-difluorophenyl)(hydroxy)methyl]prop-2-enoate
CAS Number:
1019127-48-0
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
MDL Number:
MFCD11130338
IUPAC Name:
methyl 2-[(3,4-difluorophenyl)-hydroxymethyl]prop-2-enoate
InChI:
InChI=1S/C11H10F2O3/c1-6(11(15)16-2)10(14)7-3-4-8(12)9(13)5-7/h3-5,10,14H,1H2,2H3
InChI Key:
KISCTUFLCNKUOR-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(c1ccc(c(c1)F)F)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.195g/mol
Monoisotopic Mass:
228.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties