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Home > Bromides > 1402652-56-5
1402652-56-5 | 1H-Pyrrole-2-carbonitrile, 4,5-dibromo-1-(2-propen-1-yl)-
CAS No: 1402652-56-5 Catalog No: AG001C82 MDL No:MFCD27996959
Product Description
Catalog Number:
AG001C82
Chemical Name:
1H-Pyrrole-2-carbonitrile, 4,5-dibromo-1-(2-propen-1-yl)-
CAS Number:
1402652-56-5
Molecular Formula:
C8H6Br2N2
Molecular Weight:
289.9546
MDL Number:
MFCD27996959
IUPAC Name:
4,5-dibromo-1-prop-2-enylpyrrole-2-carbonitrile
InChI:
InChI=1S/C8H6Br2N2/c1-2-3-12-6(5-11)4-7(9)8(12)10/h2,4H,1,3H2
InChI Key:
WSXWBQCEAZPGKX-UHFFFAOYSA-N
SMILES:
C=CCn1c(C#N)cc(c1Br)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.888g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.958g/mol
Monoisotopic Mass:
287.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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