| CAS Number | 6620-80-0 |
| Catalog Number | AG00FFN7(AGN-PC-0LWTEG) |
| Chemical Name | N-(propan-2-yl)benzenecarbonimidoyl chloride |
| IUPAC Name | N-propan-2-ylbenzenecarboximidoyl chloride |
| InChI | InChI=1S/C10H12ClN/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChI Key | TTXCYBZMLPRJAS-UHFFFAOYSA-N |
| MDL Number | MFCD07366397 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.6620 |
| SMILES | CC(N=C(C1=CC=CC=C1)Cl)C |
| Synonyms | N-isopropylbenzenecarboximidoyl chloride,
6620-80-0,
n-isopropylbenzimidoyl chloride,
N-(propan-2-yl)benzenecarbonimidoyl chloride,
N-propan-2-ylbenzenecarboximidoyl chloride,
AC1OFKI3,
AC1Q1NU2,
SCHEMBL1085514,
CTK5C3624,
DTXSID50427889,
MFCD07366397,
ZINC12579001,
AKOS009031195,
MCULE-8424077740,
NE48377,
N-ISOPROPYLBENZENECARBOXIMIDOYLCHLORIDE,
EN300-14694,
(E)-N-(propan-2-yl)benzene-1-carbonimidoyl chloride,
ZINC04218492,
CID7131025,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.663g/mol |
| Monoisotopic Mass | 181.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number