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92960-41-3 | 4-[bis(2-chloroethyl)amino]-3-methylbenzaldehyde
CAS No: 92960-41-3 Catalog No: AG006JY1 MDL No:
Product Description
Catalog Number:
AG006JY1
Chemical Name:
4-[bis(2-chloroethyl)amino]-3-methylbenzaldehyde
CAS Number:
92960-41-3
Molecular Formula:
C12H15Cl2NO
Molecular Weight:
260.1596
IUPAC Name:
4-[bis(2-chloroethyl)amino]-3-methylbenzaldehyde
InChI:
InChI=1S/C12H15Cl2NO/c1-10-8-11(9-16)2-3-12(10)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3
InChI Key:
CSOPQTRNTUWLEV-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1C)C=O)CCCl
NSC Number:
79386
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.158g/mol
Monoisotopic Mass:
259.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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