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Home > Bromides > 1416713-22-8
1416713-22-8 | 3-Isoquinolinecarboxylic acid, 6-bromo-
CAS No: 1416713-22-8 Catalog No: AG001GUE MDL No:MFCD22689652
Product Description
Catalog Number:
AG001GUE
Chemical Name:
3-Isoquinolinecarboxylic acid, 6-bromo-
CAS Number:
1416713-22-8
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD22689652
IUPAC Name:
6-bromoisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)
InChI Key:
WXVPUINLXIXGEP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(nc2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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