Home Other Building Blocks 3-[(difluoromethyl)sulfanyl]-2-methylpropanoic acid

3-[(difluoromethyl)sulfanyl]-2-methylpropanoic acid

CAS No.:
1465114-57-1
Catalog Number:
AG01BEFZ
Molecular Formula:
C5H8F2O2S
Molecular Weight:
170.1776
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Product Description
Catalog Number:
AG01BEFZ
Chemical Name:
3-[(difluoromethyl)sulfanyl]-2-methylpropanoic acid
CAS Number:
1465114-57-1
Molecular Formula:
C5H8F2O2S
Molecular Weight:
170.1776
MDL Number:
MFCD21109323
IUPAC Name:
3-(difluoromethylsulfanyl)-2-methylpropanoic acid
InChI:
InChI=1S/C5H8F2O2S/c1-3(4(8)9)2-10-5(6)7/h3,5H,2H2,1H3,(H,8,9)
InChI Key:
CVFNNXCEWFVNDT-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CSC(F)F
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.021g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.174g/mol
Monoisotopic Mass:
170.021g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties