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188945-38-2 | L-Phenylalanine, N-[(chloroimino)acetyl]- (9CI)
CAS No: 188945-38-2 Catalog No: AG002HK3 MDL No:
Product Description
Catalog Number:
AG002HK3
Chemical Name:
L-Phenylalanine, N-[(chloroimino)acetyl]- (9CI)
CAS Number:
188945-38-2
Molecular Formula:
C11H11ClN2O3
Molecular Weight:
254.6696
IUPAC Name:
(2S)-2-[(2-chloroiminoacetyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C11H11ClN2O3/c12-13-7-10(15)14-9(11(16)17)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChI Key:
MBAFPRAUEWPXGL-VIFPVBQESA-N
SMILES:
ClN=CC(=O)N[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
254.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.67g/mol
Monoisotopic Mass:
254.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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