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16176-11-7 | 1H-Pyrrole-2,5-dione, 1-(bromomethyl)-3,4-dichloro-
CAS No: 16176-11-7 Catalog No: AG001VVS MDL No:
Product Description
Catalog Number:
AG001VVS
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(bromomethyl)-3,4-dichloro-
CAS Number:
16176-11-7
Molecular Formula:
C5H2BrCl2NO2
Molecular Weight:
258.8849
IUPAC Name:
1-(bromomethyl)-3,4-dichloropyrrole-2,5-dione
InChI:
InChI=1S/C5H2BrCl2NO2/c6-1-9-4(10)2(7)3(8)5(9)11/h1H2
InChI Key:
GQMLTDXARRCATE-UHFFFAOYSA-N
SMILES:
BrCN1C(=O)C(=C(C1=O)Cl)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.865g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.88g/mol
Monoisotopic Mass:
256.865g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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