Home Halogens 6-Isoquinolinecarboxylic acid, 4-bromo-

6-Isoquinolinecarboxylic acid, 4-bromo-

CAS No.:
1637280-23-9
Catalog Number:
AG001UCD
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
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Product Description
Catalog Number:
AG001UCD
Chemical Name:
6-Isoquinolinecarboxylic acid, 4-bromo-
CAS Number:
1637280-23-9
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD28502758
IUPAC Name:
4-bromoisoquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-9-5-12-4-7-2-1-6(10(13)14)3-8(7)9/h1-5H,(H,13,14)
InChI Key:
XLWCQTRYIQADHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(Br)cnc2
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:
2.3  
Properties