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2279-16-5 | (S);-2-(2-Chloroacetamido);-3-methylbutanoic acid
CAS No: 2279-16-5 Catalog No: AG003OT9 MDL No:MFCD00045273
Product Description
Catalog Number:
AG003OT9
Chemical Name:
(S);-2-(2-Chloroacetamido);-3-methylbutanoic acid
CAS Number:
2279-16-5
Molecular Formula:
C7H12ClNO3
Molecular Weight:
193.6281
MDL Number:
MFCD00045273
IUPAC Name:
(2S)-2-[(2-chloroacetyl)amino]-3-methylbutanoic acid
InChI:
InChI=1S/C7H12ClNO3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChI Key:
LJRISAYPKJORFZ-LURJTMIESA-N
SMILES:
ClCC(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.627g/mol
Monoisotopic Mass:
193.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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