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857-95-4 | Tyrosine,O-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS No: 857-95-4 Catalog No: AG004OS4 MDL No:
Product Description
Catalog Number:
AG004OS4
Chemical Name:
Tyrosine,O-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS Number:
857-95-4
Molecular Formula:
C19H22Cl2N2O3
Molecular Weight:
397.2956
IUPAC Name:
2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
InChI:
InChI=1S/C19H22Cl2N2O3/c20-9-11-23(12-10-21)15-3-7-17(8-4-15)26-16-5-1-14(2-6-16)13-18(22)19(24)25/h1-8,18H,9-13,22H2,(H,24,25)
InChI Key:
IDJLCKJFVNGXOP-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)Oc1ccc(cc1)CC(C(=O)O)N)CCCl
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.296g/mol
Monoisotopic Mass:
396.101g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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