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Home Carboxys Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(trifluoromethyl)-

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(trifluoromethyl)-

CAS No.:
224584-18-3
Catalog Number:
AG00I4FN
Molecular Formula:
C7H7F3O2
Molecular Weight:
180.1245
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$397
- +
250mg
95%
In Stock USA
United States
$795
- +
1g
95%
In Stock USA
United States
$1948
- +
5g
95%
In Stock USA
United States
$5647
- +
Product Description
Catalog Number:
AG00I4FN
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(trifluoromethyl)-
CAS Number:
224584-18-3
Molecular Formula:
C7H7F3O2
Molecular Weight:
180.1245
MDL Number:
MFCD20544759
IUPAC Name:
3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12)
InChI Key:
CGISBZCYXGUFNK-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC(C1)(C2)C(F)(F)F
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.126g/mol
Monoisotopic Mass:
180.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties