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1000341-97-8 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4,7-dibromo-
CAS No: 1000341-97-8 Catalog No: AG0000HV MDL No:
Product Description
Catalog Number:
AG0000HV
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4,7-dibromo-
CAS Number:
1000341-97-8
Molecular Formula:
C8H4Br2N2O2
Molecular Weight:
319.9376
IUPAC Name:
4,7-dibromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H4Br2N2O2/c9-4-2-12-7(10)5-3(8(13)14)1-11-6(4)5/h1-2,11H,(H,13,14)
InChI Key:
INNJAXOQRDDVII-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(Br)ncc2Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.862g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.94g/mol
Monoisotopic Mass:
317.864g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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