Home Carboxys rac-(1R,3R)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid, trans

rac-(1R,3R)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid, trans

CAS No.:
74457-55-9
Catalog Number:
AG01BID3
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
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Product Description
Catalog Number:
AG01BID3
Chemical Name:
rac-(1R,3R)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid, trans
CAS Number:
74457-55-9
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
MDL Number:
MFCD28118629
IUPAC Name:
(1S,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C10H8F2O2/c11-10(12)7(8(10)9(13)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)/t7-,8+/m1/s1
InChI Key:
ZJTJSILEHUGFMC-SFYZADRCSA-N
SMILES:
OC(=O)[C@@H]1[C@H](C1(F)F)c1ccccc1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
198.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.169g/mol
Monoisotopic Mass:
198.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties