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173522-95-7 | L-Phenylalanine, 3,4-dichloro-, methyl ester, hydrochloride (9CI)
CAS No: 173522-95-7 Catalog No: AG001Z09 MDL No:MFCD06796736
Product Description
Catalog Number:
AG001Z09
Chemical Name:
L-Phenylalanine, 3,4-dichloro-, methyl ester, hydrochloride (9CI)
CAS Number:
173522-95-7
Molecular Formula:
C10H12Cl3NO2
Molecular Weight:
284.5668
MDL Number:
MFCD06796736
IUPAC Name:
methyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)9(13)5-6-2-3-7(11)8(12)4-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m0./s1
InChI Key:
NOTFEHXAVUQWDQ-FVGYRXGTSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(c(c1)Cl)Cl)N.Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.561g/mol
Monoisotopic Mass:
282.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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