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10245-82-6 | 1H-Pyrrole, 2-(3,5-dibromo-2-methoxyphenyl)-
CAS No: 10245-82-6 Catalog No: AG0007J0 MDL No:
Product Description
Catalog Number:
AG0007J0
Chemical Name:
1H-Pyrrole, 2-(3,5-dibromo-2-methoxyphenyl)-
CAS Number:
10245-82-6
Molecular Formula:
C11H9Br2NO
Molecular Weight:
331.0033
IUPAC Name:
2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole
InChI:
InChI=1S/C11H9Br2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h2-6,14H,1H3
InChI Key:
JLXGOYFXOKFPKJ-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1c1[nH]ccc1)Br
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.903g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.007g/mol
Monoisotopic Mass:
328.905g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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