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1168090-92-3 | Imidazo[1,5-a]pyridine-6-carboxylic acid, 5-chloro-, methyl ester
CAS No: 1168090-92-3 Catalog No: AG000D8L MDL No:MFCD23711382
Product Description
Catalog Number:
AG000D8L
Chemical Name:
Imidazo[1,5-a]pyridine-6-carboxylic acid, 5-chloro-, methyl ester
CAS Number:
1168090-92-3
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD23711382
IUPAC Name:
methyl 5-chloroimidazo[1,5-a]pyridine-6-carboxylate
InChI:
InChI=1S/C9H7ClN2O2/c1-14-9(13)7-3-2-6-4-11-5-12(6)8(7)10/h2-5H,1H3
InChI Key:
LHXRTDJUZZEEQH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2n(c1Cl)cnc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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