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142044-85-7 | 1H-Pyrrole, 1-(2-bromo-4-methylphenyl)-
CAS No: 142044-85-7 Catalog No: AG001HMS MDL No:MFCD02665225
Product Description
Catalog Number:
AG001HMS
Chemical Name:
1H-Pyrrole, 1-(2-bromo-4-methylphenyl)-
CAS Number:
142044-85-7
Molecular Formula:
C11H10BrN
Molecular Weight:
236.1078
MDL Number:
MFCD02665225
IUPAC Name:
1-(2-bromo-4-methylphenyl)pyrrole
InChI:
InChI=1S/C11H10BrN/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,1H3
InChI Key:
GVOGUJBMHXFQFN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)n1cccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.112g/mol
Monoisotopic Mass:
235g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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