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1773-89-3 | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-dimethyl ester
CAS No: 1773-89-3 Catalog No: AG002580 MDL No:
Product Description
Catalog Number:
AG002580
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-dimethyl ester
CAS Number:
1773-89-3
Molecular Formula:
C11H8Cl6O4
Molecular Weight:
416.8968
IUPAC Name:
dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
InChI:
InChI=1S/C11H8Cl6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h3-4H,1-2H3
InChI Key:
MDHHRPHYYRMIPH-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(C(=O)OC)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
EC Number:
217-202-1
UNII:
2T60Q2D44E
NSC Number:
12446
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.852g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.881g/mol
Monoisotopic Mass:
413.855g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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