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1190315-40-2 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 7-fluoro-
CAS No: 1190315-40-2 Catalog No: AG000HNS MDL No:
Product Description
Catalog Number:
AG000HNS
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 7-fluoro-
CAS Number:
1190315-40-2
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
IUPAC Name:
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-6-3-10-1-4-5(8(12)13)2-11-7(4)6/h1-3,11H,(H,12,13)
InChI Key:
PEJFUPGNXYCZQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cncc2F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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