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81892-41-3 | 6-FLUORO-3,4-DIHYDRO-4-(HYDROXYIMINO)-1(2H)-QUINOLINECARBOXYLIC ACID METHYL ESTER
CAS No: 81892-41-3 Catalog No: AG005671 MDL No:
Product Description
Catalog Number:
AG005671
Chemical Name:
6-FLUORO-3,4-DIHYDRO-4-(HYDROXYIMINO)-1(2H)-QUINOLINECARBOXYLIC ACID METHYL ESTER
CAS Number:
81892-41-3
Molecular Formula:
C11H11FN2O3
Molecular Weight:
238.2150
IUPAC Name:
methyl 6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
InChI:
InChI=1S/C11H11FN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3
InChI Key:
IXZVOELNROZATN-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(=NO)c2c1ccc(c2)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.218g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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