Home Other Building Blocks methyl 3-(3,4-difluorophenyl)propiolate

methyl 3-(3,4-difluorophenyl)propiolate

CAS No.:
1341988-80-4
Catalog Number:
AG01DVB0
Molecular Formula:
C10H6F2O2
Molecular Weight:
196.1502
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Product Description
Catalog Number:
AG01DVB0
Chemical Name:
methyl 3-(3,4-difluorophenyl)propiolate
CAS Number:
1341988-80-4
Molecular Formula:
C10H6F2O2
Molecular Weight:
196.1502
MDL Number:
MFCD20347313
IUPAC Name:
methyl 3-(3,4-difluorophenyl)prop-2-ynoate
InChI:
InChI=1S/C10H6F2O2/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6H,1H3
InChI Key:
XPVPTNHFNZIBAB-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccc(c(c1)F)F
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.034g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.153g/mol
Monoisotopic Mass:
196.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties