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1190321-49-3 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-chloro-, methyl ester
CAS No: 1190321-49-3 Catalog No: AG000HYQ MDL No:MFCD12963479
Product Description
Catalog Number:
AG000HYQ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-chloro-, methyl ester
CAS Number:
1190321-49-3
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD12963479
IUPAC Name:
methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
InChI:
InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-12-8-6(7)2-5(10)3-11-8/h2-4H,1H3,(H,11,12)
InChI Key:
JDGXCXNGYUXAOY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(Cl)cn2
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:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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