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17126-76-0 | Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-methoxy-
CAS No: 17126-76-0 Catalog No: AG007U7M MDL No:
Product Description
Catalog Number:
AG007U7M
Chemical Name:
Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-methoxy-
CAS Number:
17126-76-0
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
IUPAC Name:
4-[bis(2-chloroethyl)amino]-2-methoxybenzaldehyde
InChI:
InChI=1S/C12H15Cl2NO2/c1-17-12-8-11(3-2-10(12)9-16)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3
InChI Key:
GTDPEAHAOACWFA-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(c(c1)OC)C=O)CCCl
NSC Number:
138565
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.157g/mol
Monoisotopic Mass:
275.048g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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