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24813-04-5 | Benzamide, 3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)-
CAS No: 24813-04-5 Catalog No: AG002PJK MDL No:
Product Description
Catalog Number:
AG002PJK
Chemical Name:
Benzamide, 3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)-
CAS Number:
24813-04-5
Molecular Formula:
C18H19Cl2N3O3
Molecular Weight:
396.2678
IUPAC Name:
3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)benzamide
InChI:
InChI=1S/C18H19Cl2N3O3/c1-13-5-6-16(17(11-13)23(25)26)21-18(24)14-3-2-4-15(12-14)22(9-7-19)10-8-20/h2-6,11-12H,7-10H2,1H3,(H,21,24)
InChI Key:
XBDVFRFVNXUABZ-UHFFFAOYSA-N
SMILES:
ClCCN(c1cccc(c1)C(=O)Nc1ccc(cc1[N+](=O)[O-])C)CCCl
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.268g/mol
Monoisotopic Mass:
395.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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