| CAS Number | 403850-89-5 |
| Catalog Number | AG00CJ3N(AGN-PC-03PEUG) |
| Chemical Name | 7-BROMO-2-METHYL-3H-QUINAZOLIN-4-ONE |
| IUPAC Name | 7-bromo-2-methyl-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H7BrN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13) |
| InChI Key | CMVNWVONJDMTSH-UHFFFAOYSA-N |
| MDL Number | MFCD11044638 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | O=C1NC(C)=NC2=C1C=CC(Br)=C2 |
| Synonyms | 7-Bromo-2-methylquinazolin-4(3H)-one,
403850-89-5,
7-bromo-2-methyl-3,4-dihydroquinazolin-4-one,
SCHEMBL1159414,
CTK4I2977,
KS-00000FHY,
DTXSID90625908,
CMVNWVONJDMTSH-UHFFFAOYSA-N,
MFCD11043862,
ZINC95936002,
AKOS024258502,
CS-W022529,
DS-3202,
7-Bromo-2-methylquinazolin-4(1H)-one,
AK158847,
4(1H)-Quinazolinone, 7-bromo-2-methyl-,
AJ-138233,
ST2406549,
7-BROMO-2-METHYL-3H-QUINAZOLIN-4-ONE,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.072g/mol |
| Monoisotopic Mass | 237.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P305+P351+P338
|
|
Signal Words
|
warning
|
|
UN Code
|
|
Certificate of Analysis
Lot Number