| CAS Number | 73004-96-3 |
| Catalog Number | AG005N3T(AGN-PC-0JNRCD) |
| Chemical Name | (3-(2-Chloroethyl)phenyl)methanol |
| IUPAC Name | 1-(2-chloroethyl)-3-methoxybenzene |
| InChI | InChI=1S/C9H11ClO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6H2,1H3 |
| InChI Key | YGYPCEPMUOKONV-UHFFFAOYSA-N |
| MDL Number | MFCD11646271 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| NSC Number | 75625 |
| SMILES | COC1=CC(CCCl)=CC=C1 |
| Synonyms | 1-(2-chloroethyl)-3-methoxybenzene,
73004-96-3,
1-(2-chloroethyl)-3-methoxy-benzene,
NSC75625,
AC1L5NHI,
3-methoxyphenethyl chloride,
AC1Q3UJ1,
NCIOpen2_000937,
SCHEMBL5341432,
CTK2H9196,
m-methoxy-2-phenylethyl chloride,
YGYPCEPMUOKONV-UHFFFAOYSA-N,
ZINC1701711,
NSC-75625,
AKOS009359588,
SC-62719,
KST-1B9428,
AR-1B0634,
CID253130,
(3-(2-CHLOROETHYL)PHENYL)METHANOL,
94977-28-3,
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| Complexity | 106 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.636g/mol |
| Monoisotopic Mass | 170.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number