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1134327-80-2 | 1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, 4-chloro-, methyl ester
CAS No: 1134327-80-2 Catalog No: AG0008KQ MDL No:MFCD11858420
Product Description
Catalog Number:
AG0008KQ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, 4-chloro-, methyl ester
CAS Number:
1134327-80-2
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD11858420
IUPAC Name:
methyl 2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
InChI:
InChI=1S/C10H9ClN2O2/c1-15-8(14)4-6-5-13-10-9(6)7(11)2-3-12-10/h2-3,5H,4H2,1H3,(H,12,13)
InChI Key:
WIFKKUUSWXNSOD-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c[nH]c2c1c(Cl)ccn2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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