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116058-19-6 | 1H-Indole-3-carboxylic acid, 2-[bis(2-chloroethyl)amino]ethyl ester
CAS No: 116058-19-6 Catalog No: AG000BJ1 MDL No:
Product Description
Catalog Number:
AG000BJ1
Chemical Name:
1H-Indole-3-carboxylic acid, 2-[bis(2-chloroethyl)amino]ethyl ester
CAS Number:
116058-19-6
Molecular Formula:
C15H18Cl2N2O2
Molecular Weight:
329.2216
IUPAC Name:
2-[bis(2-chloroethyl)amino]ethyl 1H-indole-3-carboxylate
InChI:
InChI=1S/C15H18Cl2N2O2/c16-5-7-19(8-6-17)9-10-21-15(20)13-11-18-14-4-2-1-3-12(13)14/h1-4,11,18H,5-10H2
InChI Key:
GRNUKYKBCZLORF-UHFFFAOYSA-N
SMILES:
ClCCN(CCOC(=O)c1c[nH]c2c1cccc2)CCCl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.221g/mol
Monoisotopic Mass:
328.075g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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