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18237-77-9 | Benzaldehyde, 4-[bis(2-chloroethyl)amino]-, oxime
CAS No: 18237-77-9 Catalog No: AG0023QE MDL No:
Product Description
Catalog Number:
AG0023QE
Chemical Name:
Benzaldehyde, 4-[bis(2-chloroethyl)amino]-, oxime
CAS Number:
18237-77-9
Molecular Formula:
C11H14Cl2N2O
Molecular Weight:
261.1477
IUPAC Name:
N-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydroxylamine
InChI:
InChI=1S/C11H14Cl2N2O/c12-5-7-15(8-6-13)11-3-1-10(2-4-11)9-14-16/h1-4,9,16H,5-8H2
InChI Key:
FXVFBBQKGSWGPW-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C=NO)CCCl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.146g/mol
Monoisotopic Mass:
260.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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