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1800-68-6 | Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-(trifluoromethyl)-
CAS No: 1800-68-6 Catalog No: AG0021LD MDL No:
Product Description
Catalog Number:
AG0021LD
Chemical Name:
Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-(trifluoromethyl)-
CAS Number:
1800-68-6
Molecular Formula:
C12H12Cl2F3NO
Molecular Weight:
314.1310
IUPAC Name:
4-[bis(2-chloroethyl)amino]-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C12H12Cl2F3NO/c13-3-5-18(6-4-14)10-2-1-9(8-19)11(7-10)12(15,16)17/h1-2,7-8H,3-6H2
InChI Key:
KQZSBGJHPPTJDQ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(c(c1)C(F)(F)F)C=O)CCCl
NSC Number:
79387
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.129g/mol
Monoisotopic Mass:
313.025g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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