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1167055-83-5 | 1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, 3-bromo-, ethyl ester
CAS No: 1167055-83-5 Catalog No: AG000D1S MDL No:
Product Description
Catalog Number:
AG000D1S
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, 3-bromo-, ethyl ester
CAS Number:
1167055-83-5
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
IUPAC Name:
ethyl 3-bromo-1H-pyrrolo[3,2-c]pyridine-4-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-8-6(11)5-13-7(8)3-4-12-9/h3-5,13H,2H2,1H3
InChI Key:
VNNHXFBGQUYZEI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccc2c1c(Br)c[nH]2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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