hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate

CAS: 66232-29-9

Molecular Formula	`C28H47Cl2NO2`
Molecular Weight	500.6 g/mol
LogP	10.8
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	23
Exact Mass	499.29837
Heavy Atoms	33
Complexity	436.0

Chemical Identifiers

CAS Number	66232-29-9
SMILES	`CCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl`
InChIKey	`ZWDBEIUHQWOPQY-UHFFFAOYSA-N`

📖 Product Overview

hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate (CAS: 66232-29-9) is a chemical compound with molecular formula C28H47Cl2NO2 and molecular weight 500.6 g/mol. Its IUPAC systematic name is hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate. LogP 10.8 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 23 Exact Mass 499.29837 Heavy Atoms 33 Complexity 436.0 InChI Key: ZWDBEIUHQWOPQY-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl.

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