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88340-15-2 | 1H-Pyrrole-2,5-dione, 3,4-dibromo-1-pentyl-
CAS No: 88340-15-2 Catalog No: AG0046PC MDL No:
Product Description
Catalog Number:
AG0046PC
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dibromo-1-pentyl-
CAS Number:
88340-15-2
Molecular Formula:
C9H11Br2NO2
Molecular Weight:
324.9971
IUPAC Name:
3,4-dibromo-1-pentylpyrrole-2,5-dione
InChI:
InChI=1S/C9H11Br2NO2/c1-2-3-4-5-12-8(13)6(10)7(11)9(12)14/h2-5H2,1H3
InChI Key:
IUPJKVPWWCMFAW-UHFFFAOYSA-N
SMILES:
CCCCCN1C(=O)C(=C(C1=O)Br)Br
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.914g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325g/mol
Monoisotopic Mass:
322.916g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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