| CAS Number | 3670-15-3 |
| Catalog Number | AG00CMI3(AGN-PC-0RCLVQ) |
| Chemical Name | 2-(2-Chlorophenyl)propan-2-ol |
| IUPAC Name | 2-(2-chlorophenyl)propan-2-ol |
| InChI | InChI=1S/C9H11ClO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3 |
| InChI Key | UALUYGFVNLQVFT-UHFFFAOYSA-N |
| MDL Number | MFCD11870103 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| SMILES | ClC1=C(C=CC=C1)C(C)(C)O |
| Synonyms | 2-(2-chlorophenyl)propan-2-ol,
3670-15-3,
SCHEMBL8895713,
MFCD11870103,
ZINC37379772,
AKOS009996491,
MCULE-5499758918,
K-8170,
Z1446874736,
ACN-042012,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.636g/mol |
| Monoisotopic Mass | 170.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number