| CAS Number | 885275-72-9 |
| Catalog Number | AG00GS3P(AGN-PC-0ALKFL) |
| Chemical Name | 2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE |
| IUPAC Name | 2-(chloromethyl)imidazo[1,2-a]pyridine-6-carbonitrile |
| InChI | InChI=1S/C9H6ClN3/c10-3-8-6-13-5-7(4-11)1-2-9(13)12-8/h1-2,5-6H,3H2 |
| InChI Key | TVHZJWABGHPMQH-UHFFFAOYSA-N |
| MDL Number | MFCD06739268 |
| Molecular Formula | C9H6ClN3 |
| Molecular Weight | 191.6170 |
| SMILES | N#CC1=CN2C(C=C1)=NC(CCl)=C2 |
| Synonyms | 885275-72-9,
2-(chloromethyl)imidazo[1,2-a]pyridine-6-carbonitrile,
2-Chloromethyl-imidazo[1,2-a]pyridine-6-carbonitrile,
5028AH,
FCH853469,
KM2635,
MFCD06739268,
ZINC85344492,
AKOS006292883,
AB28999,
AK157289,
AJ-127768,
AX8291400,
DB-077653,
BB 0261822,
FT-0695529,
2-Chloromethylimidazo[1,2-a]pyridine-6-carbonitrile,
C9H6ClN3,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.618g/mol |
| Monoisotopic Mass | 191.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331-H341
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number