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113509-61-8 | Phenylalanine, N-(2-chloro-1-oxopropyl)-, (S)- (9CI)
CAS No: 113509-61-8 Catalog No: AG0008UI MDL No:
Product Description
Catalog Number:
AG0008UI
Chemical Name:
Phenylalanine, N-(2-chloro-1-oxopropyl)-, (S)- (9CI)
CAS Number:
113509-61-8
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
IUPAC Name:
2-(2-chloropropanoylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C12H14ClNO3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)(H,16,17)
InChI Key:
WLODRDGWDFSNBT-UHFFFAOYSA-N
SMILES:
CC(C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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