Name: Name:5-[Bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid ethyl ester
Brand: Angene
SKU: AG00BF0U
Rating: 90 (10 reviews)

5-[Bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid ethyl ester

CAS No.:

294174-66-6

Catalog Number:

AG00BF0U

Molecular Formula:

C15H17Cl2NO3

Molecular Weight:

330.2064

Catalog Number:

AG00BF0U

Chemical Name:

5-[Bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid ethyl ester

CAS Number:

294174-66-6

Molecular Formula:

C15H17Cl2NO3

Molecular Weight:

330.2064

MDL Number:

MFCD30377219

IUPAC Name:

ethyl 5-[bis(2-chloroethyl)amino]-1-benzofuran-2-carboxylate

InChI:

InChI=1S/C15H17Cl2NO3/c1-2-20-15(19)14-10-11-9-12(3-4-13(11)21-14)18(7-5-16)8-6-17/h3-4,9-10H,2,5-8H2,1H3

InChI Key:

NXNIZRQUQWIASC-UHFFFAOYSA-N

SMILES:

ClCCN(c1ccc2c(c1)cc(o2)C(=O)OCC)CCCl

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.205g/mol

Monoisotopic Mass:

329.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2