Home Halogens Methyl 4-chloro-3,3-difluorobutanoate

Methyl 4-chloro-3,3-difluorobutanoate

CAS No.:
1447671-69-3
Catalog Number:
AG01F4J8
Molecular Formula:
C5H7ClF2O2
Molecular Weight:
172.5577
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Product Description
Catalog Number:
AG01F4J8
Chemical Name:
Methyl 4-chloro-3,3-difluorobutanoate
CAS Number:
1447671-69-3
Molecular Formula:
C5H7ClF2O2
Molecular Weight:
172.5577
MDL Number:
MFCD25371530
IUPAC Name:
methyl 4-chloro-3,3-difluorobutanoate
InChI:
InChI=1S/C5H7ClF2O2/c1-10-4(9)2-5(7,8)3-6/h2-3H2,1H3
InChI Key:
CNGWGAVQCFAGOT-UHFFFAOYSA-N
SMILES:
ClCC(CC(=O)OC)(F)F
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.01g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.556g/mol
Monoisotopic Mass:
172.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties