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88270-39-7 | L-Alanine, 3,3-difluoro-2-methyl-, hydrochloride
CAS No: 88270-39-7 Catalog No: AG004AA6 MDL No:
Product Description
Catalog Number:
AG004AA6
Chemical Name:
L-Alanine, 3,3-difluoro-2-methyl-, hydrochloride
CAS Number:
88270-39-7
Molecular Formula:
C4H8ClF2NO2
Molecular Weight:
175.5616
IUPAC Name:
(2R)-2-amino-3,3-difluoro-2-methylpropanoic acid;hydrochloride
InChI:
InChI=1S/C4H7F2NO2.ClH/c1-4(7,2(5)6)3(8)9;/h2H,7H2,1H3,(H,8,9);1H/t4-;/m0./s1
InChI Key:
QUSSSNWYBQEOGP-WCCKRBBISA-N
SMILES:
FC([C@@](C(=O)O)(N)C)F.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.021g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.56g/mol
Monoisotopic Mass:
175.021g/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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