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1208-03-3 | 4-[Bis-(2-chloroethyl)amino]benzaldehyde
CAS No: 1208-03-3 Catalog No: AG003KLC MDL No:MFCD00014132
Product Description
Catalog Number:
AG003KLC
Chemical Name:
4-[Bis-(2-chloroethyl)amino]benzaldehyde
CAS Number:
1208-03-3
Molecular Formula:
C11H13Cl2NO
Molecular Weight:
246.1330
MDL Number:
MFCD00014132
IUPAC Name:
4-[bis(2-chloroethyl)amino]benzaldehyde
InChI:
InChI=1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2
InChI Key:
PXUFHXLGUJLBMI-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C=O)CCCl
NSC Number:
19996
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.131g/mol
Monoisotopic Mass:
245.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2-[3-((Z)-2-{4-[Bis(2-chloro-eth-yl)amino]-phen-yl}ethen-yl)-5,5-dimethyl-cyclo-hex-2-en-1-yl-idene]propane-dinitrile. | Acta crystallographica. Section E, Structure reports online 20110101 |
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