Home Carboxys rac-(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid, trans

rac-(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid, trans

CAS No.:
1773507-94-0
Catalog Number:
AG01BTNH
Molecular Formula:
C6H8F2O2
Molecular Weight:
150.1233
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Product Description
Catalog Number:
AG01BTNH
Chemical Name:
rac-(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid, trans
CAS Number:
1773507-94-0
Molecular Formula:
C6H8F2O2
Molecular Weight:
150.1233
MDL Number:
MFCD30737575
IUPAC Name:
(1S,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H8F2O2/c7-5(8)3-1-2-4(3)6(9)10/h3-5H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChI Key:
CTNBXQCALVHSKS-DMTCNVIQSA-N
SMILES:
FC([C@@H]1CC[C@H]1C(=O)O)F
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
150.049g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.125g/mol
Monoisotopic Mass:
150.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties