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142057-56-5 | 1H-Pyrrole-2-carbonitrile, 4-bromo-1,5-dimethyl-
CAS No: 142057-56-5 Catalog No: AG001HNT MDL No:MFCD20502411
Product Description
Catalog Number:
AG001HNT
Chemical Name:
1H-Pyrrole-2-carbonitrile, 4-bromo-1,5-dimethyl-
CAS Number:
142057-56-5
Molecular Formula:
C7H7BrN2
Molecular Weight:
199.0479
MDL Number:
MFCD20502411
IUPAC Name:
4-bromo-1,5-dimethylpyrrole-2-carbonitrile
InChI:
InChI=1S/C7H7BrN2/c1-5-7(8)3-6(4-9)10(5)2/h3H,1-2H3
InChI Key:
ALJTYVWCWBUADZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(n1C)C)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.979g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.051g/mol
Monoisotopic Mass:
197.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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