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1263284-04-3 | Propanoic acid, 3-amino-2,2-difluoro-, ethyl ester, hydrochloride (1:1)
CAS No: 1263284-04-3 Catalog No: AG000SMH MDL No:MFCD13185039
Product Description
Catalog Number:
AG000SMH
Chemical Name:
Propanoic acid, 3-amino-2,2-difluoro-, ethyl ester, hydrochloride (1:1)
CAS Number:
1263284-04-3
Molecular Formula:
C5H10ClF2NO2
Molecular Weight:
189.5882
MDL Number:
MFCD13185039
IUPAC Name:
ethyl 3-amino-2,2-difluoropropanoate;hydrochloride
InChI:
InChI=1S/C5H9F2NO2.ClH/c1-2-10-4(9)5(6,7)3-8;/h2-3,8H2,1H3;1H
InChI Key:
NLRVBXSWRFLJRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CN)(F)F.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.587g/mol
Monoisotopic Mass:
189.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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