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1000341-79-6 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-bromo-
CAS No: 1000341-79-6 Catalog No: AG0000ID MDL No:MFCD09749990
Product Description
Catalog Number:
AG0000ID
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-bromo-
CAS Number:
1000341-79-6
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD09749990
IUPAC Name:
4-bromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-7-6-4(8(12)13)3-11-5(6)1-2-10-7/h1-3,11H,(H,12,13)
InChI Key:
JLDJTYPAONDMKO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(Br)ncc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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