Home Carboxys rac-methyl (3R,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate hydrochloride, trans

rac-methyl (3R,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate hydrochloride, trans

CAS No.:
1244781-14-3
Catalog Number:
AG01C46B
Molecular Formula:
C12H14ClF2NO2
Molecular Weight:
277.6949
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Product Description
Catalog Number:
AG01C46B
Chemical Name:
rac-methyl (3R,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate hydrochloride, trans
CAS Number:
1244781-14-3
Molecular Formula:
C12H14ClF2NO2
Molecular Weight:
277.6949
MDL Number:
MFCD28411285
IUPAC Name:
methyl (3S,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C12H13F2NO2.ClH/c1-17-12(16)10-6-15-5-9(10)8-3-2-7(13)4-11(8)14;/h2-4,9-10,15H,5-6H2,1H3;1H/t9-,10-;/m1./s1
InChI Key:
ZOYYJSSNVZTJPG-DHTOPLTISA-N
SMILES:
COC(=O)[C@@H]1CNC[C@H]1c1ccc(cc1F)F.Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
277.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.696g/mol
Monoisotopic Mass:
277.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties