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1736-39-6 | Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-fluoro-
CAS No: 1736-39-6 Catalog No: AG001Z2E MDL No:
Product Description
Catalog Number:
AG001Z2E
Chemical Name:
Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-fluoro-
CAS Number:
1736-39-6
Molecular Formula:
C11H12Cl2FNO
Molecular Weight:
264.1235
IUPAC Name:
4-[bis(2-chloroethyl)amino]-2-fluorobenzaldehyde
InChI:
InChI=1S/C11H12Cl2FNO/c12-3-5-15(6-4-13)10-2-1-9(8-16)11(14)7-10/h1-2,7-8H,3-6H2
InChI Key:
YTNCPIUWSZPSAM-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(c(c1)F)C=O)CCCl
NSC Number:
75921
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.121g/mol
Monoisotopic Mass:
263.028g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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