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1000341-07-0 | 1H-Pyrrolo[3,2-b]pyridine, 3,6-dibromo-5-methoxy-
CAS No: 1000341-07-0 Catalog No: AG0000G6 MDL No:
Product Description
Catalog Number:
AG0000G6
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3,6-dibromo-5-methoxy-
CAS Number:
1000341-07-0
Molecular Formula:
C8H6Br2N2O
Molecular Weight:
305.9540
IUPAC Name:
3,6-dibromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H6Br2N2O/c1-13-8-4(9)2-6-7(12-8)5(10)3-11-6/h2-3,11H,1H3
InChI Key:
JVRJZBZYVVSVLR-UHFFFAOYSA-N
SMILES:
COc1nc2c(Br)c[nH]c2cc1Br
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.883g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.957g/mol
Monoisotopic Mass:
303.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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