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113443-72-4 | Propanamide, 3-chloro-N,N-bis(2-chloroethyl)-, ethanedioate (1:1)
CAS No: 113443-72-4 Catalog No: AG0008L4 MDL No:
Product Description
Catalog Number:
AG0008L4
Chemical Name:
Propanamide, 3-chloro-N,N-bis(2-chloroethyl)-, ethanedioate (1:1)
CAS Number:
113443-72-4
Molecular Formula:
C9H14Cl3NO5
Molecular Weight:
322.5702
IUPAC Name:
3-chloro-N,N-bis(2-chloroethyl)propanamide;oxalic acid
InChI:
InChI=1S/C7H12Cl3NO.C2H2O4/c8-2-1-7(12)11(5-3-9)6-4-10;3-1(4)2(5)6/h1-6H2;(H,3,4)(H,5,6)
InChI Key:
DOJSFUYHUHEGFN-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.ClCCC(=O)N(CCCl)CCCl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.994g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.563g/mol
Monoisotopic Mass:
320.994g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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