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15054-30-5 | L-Asparagine, N-(2-chloroethyl)-
CAS No: 15054-30-5 Catalog No: AG001MPW MDL No:
Product Description
Catalog Number:
AG001MPW
Chemical Name:
L-Asparagine, N-(2-chloroethyl)-
CAS Number:
15054-30-5
Molecular Formula:
C6H11ClN2O3
Molecular Weight:
194.6161
IUPAC Name:
(2S)-4-amino-2-(2-chloroethylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C6H11ClN2O3/c7-1-2-9-4(6(11)12)3-5(8)10/h4,9H,1-3H2,(H2,8,10)(H,11,12)/t4-/m0/s1
InChI Key:
OIYCYSCVSMBHNH-BYPYZUCNSA-N
SMILES:
ClCCN[C@H](C(=O)O)CC(=O)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.615g/mol
Monoisotopic Mass:
194.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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