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1217750-06-5 | D-Proline, 2-[(3,4-difluorophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217750-06-5 Catalog No: AG0015YO MDL No:MFCD06796791
Product Description
Catalog Number:
AG0015YO
Chemical Name:
D-Proline, 2-[(3,4-difluorophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217750-06-5
Molecular Formula:
C12H14ClF2NO2
Molecular Weight:
277.6949
MDL Number:
MFCD06796791
IUPAC Name:
(2S)-2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H13F2NO2.ClH/c13-9-3-2-8(6-10(9)14)7-12(11(16)17)4-1-5-15-12;/h2-3,6,15H,1,4-5,7H2,(H,16,17);1H/t12-;/m0./s1
InChI Key:
YEJFDSBCFZCUFF-YDALLXLXSA-N
SMILES:
OC(=O)[C@]1(CCCN1)Cc1ccc(c(c1)F)F.Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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:
3
Isotope Atom Count:
0
Molecular Weight:
277.696g/mol
Monoisotopic Mass:
277.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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