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Home > Bromides > 1260643-32-0
1260643-32-0 | 1-Isoquinolinecarboxylic acid, 6-bromo-1,2,3,4-tetrahydro-
CAS No: 1260643-32-0 Catalog No: AG000QXF MDL No:MFCD04114846
Product Description
Catalog Number:
AG000QXF
Chemical Name:
1-Isoquinolinecarboxylic acid, 6-bromo-1,2,3,4-tetrahydro-
CAS Number:
1260643-32-0
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD04114846
IUPAC Name:
6-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
InChI:
InChI=1S/C10H10BrNO2/c11-7-1-2-8-6(5-7)3-4-12-9(8)10(13)14/h1-2,5,9,12H,3-4H2,(H,13,14)
InChI Key:
LOEFNPKFRHLLSR-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCc2c1ccc(c2)Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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