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25223-87-4 | 1-Propanone, 3-[bis(2-chloroethyl)amino]-1-phenyl-, hydrochloride (1:1)
CAS No: 25223-87-4 Catalog No: AG002QZJ MDL No:
Product Description
Catalog Number:
AG002QZJ
Chemical Name:
1-Propanone, 3-[bis(2-chloroethyl)amino]-1-phenyl-, hydrochloride (1:1)
CAS Number:
25223-87-4
Molecular Formula:
C13H18Cl3NO
Molecular Weight:
310.6471
IUPAC Name:
3-[bis(2-chloroethyl)amino]-1-phenylpropan-1-one;hydrochloride
InChI:
InChI=1S/C13H17Cl2NO.ClH/c14-7-10-16(11-8-15)9-6-13(17)12-4-2-1-3-5-12;/h1-5H,6-11H2;1H
InChI Key:
ZZXCEJDMVQLVCN-UHFFFAOYSA-N
SMILES:
ClCCN(CCCl)CCC(=O)c1ccccc1.Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.643g/mol
Monoisotopic Mass:
309.045g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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