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Home > Aldehydes > 1000343-91-8
1000343-91-8 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-bromo-6-methyl-
CAS No: 1000343-91-8 Catalog No: AG0000M5 MDL No:
Product Description
Catalog Number:
AG0000M5
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-bromo-6-methyl-
CAS Number:
1000343-91-8
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H7BrN2O/c1-5-8(10)2-7-6(4-13)3-11-9(7)12-5/h2-4H,1H3,(H,11,12)
InChI Key:
HHBZEJKHKKWZHN-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Br)c(n2)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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