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101310-84-3 | 1H-Pyrrole-1-hexanoic acid, 3,4-dichloro-2,5-dihydro-2,5-dioxo-
CAS No: 101310-84-3 Catalog No: AG000474 MDL No:
Product Description
Catalog Number:
AG000474
Chemical Name:
1H-Pyrrole-1-hexanoic acid, 3,4-dichloro-2,5-dihydro-2,5-dioxo-
CAS Number:
101310-84-3
Molecular Formula:
C10H11Cl2NO4
Molecular Weight:
280.1046
IUPAC Name:
6-(3,4-dichloro-2,5-dioxopyrrol-1-yl)hexanoic acid
InChI:
InChI=1S/C10H11Cl2NO4/c11-7-8(12)10(17)13(9(7)16)5-3-1-2-4-6(14)15/h1-5H2,(H,14,15)
InChI Key:
SHYVKKADSJOEDN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)C(=C(C1=O)Cl)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.101g/mol
Monoisotopic Mass:
279.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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