| CAS Number | 1823254-04-1 |
| Catalog Number | AG0023MK(AGN-PC-0WCXRW) |
| Chemical Name | 4-Bromoisoquinoline-8-carboxylic acid |
| IUPAC Name | 4-bromoisoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO2/c11-9-5-12-4-8-6(9)2-1-3-7(8)10(13)14/h1-5H,(H,13,14) |
| InChI Key | IFSYAWNTGSZGTI-UHFFFAOYSA-N |
| MDL Number | MFCD28133465 |
| Molecular Formula | C10H6BrNO2 |
| Molecular Weight | 252.0641 |
| SMILES | O=C(C1=CC=CC2=C1C=NC=C2Br)O |
| Synonyms | 4-Bromoisoquinoline-8-carboxylic acid,
1823254-04-1,
AK174459,
MFCD28133465,
AKOS025396487,
ZINC253496127,
DS-8730,
FCH2701054,
8-Isoquinolinecarboxylic acid, 4-bromo-,
|
| 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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number