| CAS Number | 1447608-01-6 |
| Catalog Number | AG00AS0M(AGN-PC-0JK1YO) |
| Chemical Name | TERT-BUTYL 8-BROMOQUINOLIN-2-YLCARBAMATE |
| IUPAC Name | tert-butyl N-(8-bromoquinolin-2-yl)carbamate |
| InChI | InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-8-7-9-5-4-6-10(15)12(9)16-11/h4-8H,1-3H3,(H,16,17,18) |
| InChI Key | HJBMJXRHCHVNHN-UHFFFAOYSA-N |
| MDL Number | MFCD25542359 |
| Molecular Formula | C14H15BrN2O2 |
| Molecular Weight | 323.1851 |
| SMILES | O=C(OC(C)(C)C)NC1=NC2=C(Br)C=CC=C2C=C1 |
| Synonyms | 1447608-01-6,
TERT-BUTYL 8-BROMOQUINOLIN-2-YLCARBAMATE,
tert-Butyl (8-bromoquinolin-2-yl)carbamate,
MFCD25542359,
ZINC95802887,
AKOS025146697,
FCH3086434,
AK164673,
AS-41974,
QC-11532,
SC-68243,
tert-butyl N-(8-bromoquinolin-2-yl)carbamate,
4-Chloro-5,7-difluoroquinoline,
874831-46-6,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.19g/mol |
| Monoisotopic Mass | 322.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number