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1462-82-4 | Benzenepropanamide, α-(acetylamino)-N,N-bis(2-chloroethyl)-
CAS No: 1462-82-4 Catalog No: AG001DSW MDL No:
Product Description
Catalog Number:
AG001DSW
Chemical Name:
Benzenepropanamide, α-(acetylamino)-N,N-bis(2-chloroethyl)-
CAS Number:
1462-82-4
Molecular Formula:
C15H20Cl2N2O2
Molecular Weight:
331.2375
IUPAC Name:
2-acetamido-N,N-bis(2-chloroethyl)-3-phenylpropanamide
InChI:
InChI=1S/C15H20Cl2N2O2/c1-12(20)18-14(11-13-5-3-2-4-6-13)15(21)19(9-7-16)10-8-17/h2-6,14H,7-11H2,1H3,(H,18,20)
InChI Key:
JNJQLUMWCMUHAO-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)C(Cc1ccccc1)NC(=O)C)CCCl
NSC Number:
66352
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.237g/mol
Monoisotopic Mass:
330.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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