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Home > Fluorides > 1407991-25-6
1407991-25-6 | D-Proline, 4,4-difluoro-, hydrochloride (1:1)
CAS No: 1407991-25-6 Catalog No: AG001CRN MDL No:MFCD23106098
Product Description
Catalog Number:
AG001CRN
Chemical Name:
D-Proline, 4,4-difluoro-, hydrochloride (1:1)
CAS Number:
1407991-25-6
Molecular Formula:
C5H8ClF2NO2
Molecular Weight:
187.5723
MDL Number:
MFCD23106098
IUPAC Name:
(2R)-4,4-difluoropyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H7F2NO2.ClH/c6-5(7)1-3(4(9)10)8-2-5;/h3,8H,1-2H2,(H,9,10);1H/t3-;/m1./s1
InChI Key:
QGRXWQRKPNNHMU-AENDTGMFSA-N
SMILES:
OC(=O)[C@@H]1NCC(C1)(F)F.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.571g/mol
Monoisotopic Mass:
187.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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