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24830-50-0 | Benzoic acid, 3-[bis(2-chloroethyl)amino]-, methyl ester
CAS No: 24830-50-0 Catalog No: AG002PLH MDL No:
Product Description
Catalog Number:
AG002PLH
Chemical Name:
Benzoic acid, 3-[bis(2-chloroethyl)amino]-, methyl ester
CAS Number:
24830-50-0
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
IUPAC Name:
methyl 3-[bis(2-chloroethyl)amino]benzoate
InChI:
InChI=1S/C12H15Cl2NO2/c1-17-12(16)10-3-2-4-11(9-10)15(7-5-13)8-6-14/h2-4,9H,5-8H2,1H3
InChI Key:
PTUQHLMPEYWOFY-UHFFFAOYSA-N
SMILES:
ClCCN(c1cccc(c1)C(=O)OC)CCCl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.157g/mol
Monoisotopic Mass:
275.048g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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