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83996-51-4 | L-Phenylalanine, 3-[bis(2-chloroethyl)amino]-N-formyl-
CAS No: 83996-51-4 Catalog No: AG004UA5 MDL No:
Product Description
Catalog Number:
AG004UA5
Chemical Name:
L-Phenylalanine, 3-[bis(2-chloroethyl)amino]-N-formyl-
CAS Number:
83996-51-4
Molecular Formula:
C14H18Cl2N2O3
Molecular Weight:
333.2103
IUPAC Name:
(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid
InChI:
InChI=1S/C14H18Cl2N2O3/c15-4-6-18(7-5-16)12-3-1-2-11(8-12)9-13(14(20)21)17-10-19/h1-3,8,10,13H,4-7,9H2,(H,17,19)(H,20,21)/t13-/m0/s1
InChI Key:
KJWKATBKKLQSGS-ZDUSSCGKSA-N
SMILES:
ClCCN(c1cccc(c1)C[C@@H](C(=O)O)NC=O)CCCl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
332.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.209g/mol
Monoisotopic Mass:
332.069g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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