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14173-40-1 | Phenylalanine, 4-chloro-, methyl ester, hydrochloride (1:1)
CAS No: 14173-40-1 Catalog No: AG001GY1 MDL No:MFCD00012530
Product Description
Catalog Number:
AG001GY1
Chemical Name:
Phenylalanine, 4-chloro-, methyl ester, hydrochloride (1:1)
CAS Number:
14173-40-1
Molecular Formula:
C10H13Cl2NO2
Molecular Weight:
250.1217
MDL Number:
MFCD00012530
IUPAC Name:
methyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H
InChI Key:
GCBCWTWQAFLKJG-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)Cl)N.Cl
EC Number:
238-024-0
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.119g/mol
Monoisotopic Mass:
249.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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