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1000341-99-0 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 4-bromo-7-chloro-
CAS No: 1000341-99-0 Catalog No: AG0000HT MDL No:
Product Description
Catalog Number:
AG0000HT
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 4-bromo-7-chloro-
CAS Number:
1000341-99-0
Molecular Formula:
C8H4BrClN2O
Molecular Weight:
259.4872
IUPAC Name:
4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H4BrClN2O/c9-8-6-4(3-13)1-11-7(6)5(10)2-12-8/h1-3,11H
InChI Key:
AVANOLZDZLMZBI-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Br)ncc2Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.92g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.487g/mol
Monoisotopic Mass:
257.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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