| CAS Number | 3509-85-1 |
| Catalog Number | AG00C9ZX(AGN-PC-0NKBRD) |
| Chemical Name | 1-Chloro-2-(dichloro(phenyl)methyl)benzene |
| IUPAC Name | 1-chloro-2-[dichloro(phenyl)methyl]benzene |
| InChI | InChI=1S/C13H9Cl3/c14-12-9-5-4-8-11(12)13(15,16)10-6-2-1-3-7-10/h1-9H |
| InChI Key | PHRLCYSMTGTXMM-UHFFFAOYSA-N |
| MDL Number | MFCD23702174 |
| Molecular Formula | C13H9Cl3 |
| Molecular Weight | 271.5696 |
| SMILES | ClC1=C(C=CC=C1)C(C1=CC=CC=C1)(Cl)Cl |
| Synonyms | 3509-85-1,
1-Chloro-2-(dichlorophenylmethyl)benzene,
1-Chloro-2-[dichloro(phenyl)methyl]benzene,
(2-Chlorophenyl)phenyldichloromethane,
SCHEMBL6337202,
CTK1B7216,
DTXSID10510145,
Dichloro(o-chlorophenyl)phenylmethane,
Dichloro(2-chlorophenyl)phenylmethane,
ZINC77285674,
Benzene, 1-chloro-2-(dichlorophenylmethyl)-,
FT-0664667,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.565g/mol |
| Monoisotopic Mass | 269.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
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