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1159825-06-5 | Propanoic acid, 3-amino-2,2-difluoro-, hydrochloride (1:1)
CAS No: 1159825-06-5 Catalog No: AG000HBW MDL No:MFCD11501119
Product Description
Catalog Number:
AG000HBW
Chemical Name:
Propanoic acid, 3-amino-2,2-difluoro-, hydrochloride (1:1)
CAS Number:
1159825-06-5
Molecular Formula:
C3H6ClF2NO2
Molecular Weight:
161.5350
MDL Number:
MFCD11501119
IUPAC Name:
3-amino-2,2-difluoropropanoic acid;hydrochloride
InChI:
InChI=1S/C3H5F2NO2.ClH/c4-3(5,1-6)2(7)8;/h1,6H2,(H,7,8);1H
InChI Key:
YYNGRYXSTNHZQA-UHFFFAOYSA-N
SMILES:
NCC(C(=O)O)(F)F.Cl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
161.533g/mol
Monoisotopic Mass:
161.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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