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18352-45-9 | 2-Butenedioic acid, 2-[bis(2-chloroethyl)amino]-, 1,4-diethyl ester
CAS No: 18352-45-9 Catalog No: AG0027NU MDL No:
Product Description
Catalog Number:
AG0027NU
Chemical Name:
2-Butenedioic acid, 2-[bis(2-chloroethyl)amino]-, 1,4-diethyl ester
CAS Number:
18352-45-9
Molecular Formula:
C12H19Cl2NO4
Molecular Weight:
312.1896
IUPAC Name:
diethyl 2-[bis(2-chloroethyl)amino]but-2-enedioate
InChI:
InChI=1S/C12H19Cl2NO4/c1-3-18-11(16)9-10(12(17)19-4-2)15(7-5-13)8-6-14/h9H,3-8H2,1-2H3
InChI Key:
CQJPHACOGMOIOR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(=O)OCC)N(CCCl)CCCl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.187g/mol
Monoisotopic Mass:
311.069g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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