Home Carboxys 1-cyano-2-(trifluoromethyl)cyclopropane-1-carboxylic acid

1-cyano-2-(trifluoromethyl)cyclopropane-1-carboxylic acid

CAS No.:
1801869-68-0
Catalog Number:
AG01EL3W
Molecular Formula:
C6H4F3NO2
Molecular Weight:
179.0967
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Product Description
Catalog Number:
AG01EL3W
Chemical Name:
1-cyano-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CAS Number:
1801869-68-0
Molecular Formula:
C6H4F3NO2
Molecular Weight:
179.0967
MDL Number:
MFCD31667460
IUPAC Name:
1-cyano-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-5(3,2-10)4(11)12/h3H,1H2,(H,11,12)
InChI Key:
PKJHRVSFVVXNMT-UHFFFAOYSA-N
SMILES:
N#CC1(CC1C(F)(F)F)C(=O)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.098g/mol
Monoisotopic Mass:
179.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties