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Home > Bromides > 1190313-03-1
1190313-03-1 | 1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid, 3-bromo-
CAS No: 1190313-03-1 Catalog No: AG000HKG MDL No:MFCD12963160
Product Description
Catalog Number:
AG000HKG
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid, 3-bromo-
CAS Number:
1190313-03-1
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD12963160
IUPAC Name:
3-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-5-3-11-6-4(8(12)13)1-2-10-7(5)6/h1-3,11H,(H,12,13)
InChI Key:
WEMKUHIKIFWJGC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1[nH]cc2Br
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:
1.3
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