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89063-42-3 | Acetyl chloride, [4-[bis(2-chloroethyl)amino]phenoxy]-, hydrochloride
CAS No: 89063-42-3 Catalog No: AG0041AN MDL No:
Product Description
Catalog Number:
AG0041AN
Chemical Name:
Acetyl chloride, [4-[bis(2-chloroethyl)amino]phenoxy]-, hydrochloride
CAS Number:
89063-42-3
Molecular Formula:
C12H15Cl4NO2
Molecular Weight:
347.0650
IUPAC Name:
2-[4-[bis(2-chloroethyl)amino]phenoxy]acetyl chloride;hydrochloride
InChI:
InChI=1S/C12H14Cl3NO2.ClH/c13-5-7-16(8-6-14)10-1-3-11(4-2-10)18-9-12(15)17;/h1-4H,5-9H2;1H
InChI Key:
VWCXAPNOFWERKZ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)OCC(=O)Cl)CCCl.Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.983g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.057g/mol
Monoisotopic Mass:
344.986g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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