| CAS Number | 1036756-07-6 |
| Catalog Number | AG009LTR(AGN-PC-0WCKH6) |
| Chemical Name | 6-Bromo-2-chloro-5-fluoro-quinazoline |
| IUPAC Name | 6-bromo-2-chloro-5-fluoroquinazoline |
| InChI | InChI=1S/C8H3BrClFN2/c9-5-1-2-6-4(7(5)11)3-12-8(10)13-6/h1-3H |
| InChI Key | XCNARNYXKIGAJU-UHFFFAOYSA-N |
| MDL Number | MFCD16250427 |
| Molecular Formula | C8H3BrClFN2 |
| Molecular Weight | 261.4782 |
| SMILES | FC1=C(Br)C=CC2=NC(Cl)=NC=C12 |
| Synonyms | 6-bromo-2-chloro-5-fluoroquinazoline,
1036756-07-6,
6-BROMO-2-CHLORO-5-FLUORO-QUINAZOLINE,
SCHEMBL1320618,
XCNARNYXKIGAJU-UHFFFAOYSA-N,
MFCD16250427,
ZINC95707940,
AKOS027328086,
FCH1396449,
PB25559,
DA-16069,
SC-70423,
CS-0055234,
FT-0733034,
B10076,
Q-3230,
6-Bromo-2-chloro-4-fluoroquinazoline,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.478g/mol |
| Monoisotopic Mass | 259.915g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number