| CAS Number | 1184023-09-3 |
| Catalog Number | AG0076SV(AGN-PC-0DSMWC) |
| Chemical Name | 2-(4-Bromopyrazol-1-yl)benzonitrile |
| IUPAC Name | 2-(4-bromopyrazol-1-yl)benzonitrile |
| InChI | InChI=1S/C10H6BrN3/c11-9-6-13-14(7-9)10-4-2-1-3-8(10)5-12/h1-4,6-7H |
| InChI Key | RPTLEHPSCLVUDJ-UHFFFAOYSA-N |
| MDL Number | MFCD12779166 |
| Molecular Formula | C10H6BrN3 |
| Molecular Weight | 248.0787 |
| SMILES | N#Cc1ccccc1n1ncc(c1)Br |
| Synonyms | 2-(4-Bromopyrazol-1-yl)benzonitrile,
1184023-09-3,
ACMC-2099x0,
CTK8A9372,
DTXSID70734103,
ANW-17122,
MFCD12779166,
ZINC38054246,
AKOS010264507,
CJ-19100,
2-(4-Bromo-1H-pyrazol-1-yl)benzonitrile,
TC-105867,
2-(4-Bromo-1-pyrazolyl)benzonitrile, 98%,
Z7906,
B-9378,
C10H6BrN3,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.083g/mol |
| Monoisotopic Mass | 246.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H312-H315-H319-H332-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P304+P340-P305+P351+P338-P405-P501a
|
|
UN Code
|
UN 3439
|
Certificate of Analysis
Lot Number