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181864-30-2 | 1H-Pyrrole-2,5-dione, 3,4-dibromo-1-butyl-
CAS No: 181864-30-2 Catalog No: AG00235F MDL No:
Product Description
Catalog Number:
AG00235F
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dibromo-1-butyl-
CAS Number:
181864-30-2
Molecular Formula:
C8H9Br2NO2
Molecular Weight:
310.9706
IUPAC Name:
3,4-dibromo-1-butylpyrrole-2,5-dione
InChI:
InChI=1S/C8H9Br2NO2/c1-2-3-4-11-7(12)5(9)6(10)8(11)13/h2-4H2,1H3
InChI Key:
FPJHCPKZGXLXHU-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)C(=C(C1=O)Br)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.898g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.973g/mol
Monoisotopic Mass:
308.9g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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