| CAS Number | 1207175-68-5 |
| Catalog Number | AG008UCK(AGN-PC-07ZRUQ) |
| Chemical Name | 7-Bromo-3,4-dihydroquinazolin-2(1H)-one |
| IUPAC Name | 7-bromo-3,4-dihydro-1H-quinazolin-2-one |
| InChI | InChI=1S/C8H7BrN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4H2,(H2,10,11,12) |
| InChI Key | BPYIKIULEAEKEE-UHFFFAOYSA-N |
| MDL Number | MFCD12755793 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | O=C1NC2=C(C=CC(Br)=C2)CN1 |
| Synonyms | 7-bromo-3,4-dihydroquinazolin-2(1H)-one,
1207175-68-5,
AK-50472,
SCHEMBL16318310,
KS-00000OQM,
BPYIKIULEAEKEE-UHFFFAOYSA-N,
MFCD12755793,
ZINC45328868,
AKOS022179208,
FCH1376169,
DS-15441,
AJ-103058,
AJ-110446,
AX8212667,
DB-012331,
CS-0041907,
FT-0728893,
ST24045597,
S14-1809,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number