| CAS Number | 474710-80-0 |
| Catalog Number | AG00D9KP(AGN-PC-03JDU8) |
| Chemical Name | Ammonium 6-bromoquinazoline-4-carboxylate |
| IUPAC Name | azanium;6-bromoquinazoline-4-carboxylate |
| InChI | InChI=1S/C9H5BrN2O2.H3N/c10-5-1-2-7-6(3-5)8(9(13)14)12-4-11-7;/h1-4H,(H,13,14);1H3 |
| InChI Key | PUZDCVNKSLYUFD-UHFFFAOYSA-N |
| MDL Number | MFCD11616518 |
| Molecular Formula | C9H8BrN3O2 |
| Molecular Weight | 270.0827 |
| SMILES | [NH4+].[O-]C(=O)C1=C2C=C(Br)C=CC2=NC=N1 |
| Synonyms | Ammonium 6-bromoquinazoline-4-carboxylate,
474710-80-0,
6-Bromoquinazoline-4-carboxylic acid, ammonia salt,
6-Bromo-4-quinazolinecarboxylic acid ammonium salt,
SCHEMBL3853118,
DTXSID20621817,
MFCD11616518,
AKOS016011478,
LS40888,
azanium;6-bromoquinazoline-4-carboxylate,
AN-28142,
SC-71724,
4CH-001135,
FT-0646247,
6-BROMOQUINAZOLINE-4-CARBOXYLIC ACID AMMONIUM SALT,
4-Quinazolinecarboxylic acid, 6-bromo-, ammonium salt,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.086g/mol |
| Monoisotopic Mass | 268.98g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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