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13196-60-6 | Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-α-phenyl-
CAS No: 13196-60-6 Catalog No: AG000ZYS MDL No:
Product Description
Catalog Number:
AG000ZYS
Chemical Name:
Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-α-phenyl-
CAS Number:
13196-60-6
Molecular Formula:
C18H19Cl2NO2
Molecular Weight:
352.2550
IUPAC Name:
2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid
InChI:
InChI=1S/C18H19Cl2NO2/c19-10-12-21(13-11-20)16-8-6-15(7-9-16)17(18(22)23)14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,23)
InChI Key:
USFBFTWFQQNCOJ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C(c1ccccc1)C(=O)O)CCCl
NSC Number:
67132
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.255g/mol
Monoisotopic Mass:
351.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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