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1260641-74-4 | 1-Isoquinolinecarboxylic acid, 7-fluoro-1,2,3,4-tetrahydro-
CAS No: 1260641-74-4 Catalog No: AG000QXK MDL No:MFCD06739172
Product Description
Catalog Number:
AG000QXK
Chemical Name:
1-Isoquinolinecarboxylic acid, 7-fluoro-1,2,3,4-tetrahydro-
CAS Number:
1260641-74-4
Molecular Formula:
C10H10FNO2
Molecular Weight:
195.1903
MDL Number:
MFCD06739172
IUPAC Name:
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
InChI:
InChI=1S/C10H10FNO2/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7/h1-2,5,9,12H,3-4H2,(H,13,14)
InChI Key:
NOWDBACTAQQIGS-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCc2c1cc(F)cc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.193g/mol
Monoisotopic Mass:
195.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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