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92553-57-6 | 2-[bis(2-chloroethyl)amino]naphthalene-1-carbaldehyde
CAS No: 92553-57-6 Catalog No: AG006H34 MDL No:
Product Description
Catalog Number:
AG006H34
Chemical Name:
2-[bis(2-chloroethyl)amino]naphthalene-1-carbaldehyde
CAS Number:
92553-57-6
Molecular Formula:
C15H15Cl2NO
Molecular Weight:
296.1917
IUPAC Name:
2-[bis(2-chloroethyl)amino]naphthalene-1-carbaldehyde
InChI:
InChI=1S/C15H15Cl2NO/c16-7-9-18(10-8-17)15-6-5-12-3-1-2-4-13(12)14(15)11-19/h1-6,11H,7-10H2
InChI Key:
OZTPDRJXPDQKQN-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc2c(c1C=O)cccc2)CCCl
NSC Number:
79388
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.191g/mol
Monoisotopic Mass:
295.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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