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1000342-01-7 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-bromo-7-chloro-
CAS No: 1000342-01-7 Catalog No: AG0000HR MDL No:
Product Description
Catalog Number:
AG0000HR
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-bromo-7-chloro-
CAS Number:
1000342-01-7
Molecular Formula:
C8H4BrClN2O2
Molecular Weight:
275.4866
IUPAC Name:
4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H4BrClN2O2/c9-7-5-3(8(13)14)1-11-6(5)4(10)2-12-7/h1-2,11H,(H,13,14)
InChI Key:
ILARIBBHMDRKRP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(Br)ncc2Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.914g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.486g/mol
Monoisotopic Mass:
273.914g/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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