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1145-56-8 | L-Tyrosine, N-(2-chloroacetyl)-
CAS No: 1145-56-8 Catalog No: AG000EKZ MDL No:MFCD00002390
Product Description
Catalog Number:
AG000EKZ
Chemical Name:
L-Tyrosine, N-(2-chloroacetyl)-
CAS Number:
1145-56-8
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
MDL Number:
MFCD00002390
IUPAC Name:
(2S)-2-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C11H12ClNO4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChI Key:
GDOGSOZOUAVIFX-VIFPVBQESA-N
SMILES:
ClCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
EC Number:
214-544-3
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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