| CAS Number | 1365272-36-1 |
| Catalog Number | AG00120F(AGN-PC-0J2C82) |
| Chemical Name | 3-(3,4-Dichlorophenyl)benzonitrile |
| IUPAC Name | 3-(3,4-dichlorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7Cl2N/c14-12-5-4-11(7-13(12)15)10-3-1-2-9(6-10)8-16/h1-7H |
| InChI Key | VYAILQQUZKYPQL-UHFFFAOYSA-N |
| MDL Number | MFCD21609625 |
| Molecular Formula | C13H7Cl2N |
| Molecular Weight | 248.1074 |
| SMILES | N#Cc1cccc(c1)c1ccc(c(c1)Cl)Cl |
| Synonyms | 3-(3,4-Dichlorophenyl)benzonitrile,
1365272-36-1,
ACMC-209c7y,
CTK8B0541,
DTXSID60742893,
ANW-20108,
MFCD21609625,
ZINC85477076,
AKOS024438517,
CJ-22416,
TC-108853,
B-8613,
3',4'-Dichloro[1,1'-biphenyl]-3-carbonitrile,
[1,1'-Biphenyl]-3-carbonitrile, 3',4'-dichloro-,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.106g/mol |
| Monoisotopic Mass | 246.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number