| CAS Number | 6630-41-7 |
| Catalog Number | AG00FM36(AGN-PC-0JM2RY) |
| Chemical Name | 1-chloro-4-(3-chloro-1-methoxypropyl)benzene |
| EC Number | 229-624-3 |
| IUPAC Name | 1-chloro-4-(3-chloro-1-methoxypropyl)benzene |
| InChI | InChI=1S/C10H12Cl2O/c1-13-10(6-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3 |
| InChI Key | WEMSZIUGMVBXTP-UHFFFAOYSA-N |
| MDL Number | MFCD00018981 |
| Molecular Formula | C10H12Cl2O |
| Molecular Weight | 219.1077 |
| NSC Number | 60400 |
| SMILES | COC(CCCl)c1ccc(cc1)Cl |
| Synonyms | 6630-41-7,
3-(4-Chlorophenyl)-3-Methoxypropyl Chloride,
1-Chloro-4-(3-chloro-1-methoxypropyl)benzene,
Benzene,1-chloro-4-(3-chloro-1-methoxypropyl)-,
NSC60400,
EINECS 229-624-3,
AC1L3ZJQ,
AC1Q44FZ,
SCHEMBL5662767,
CTK5C4120,
WEMSZIUGMVBXTP-UHFFFAOYSA-N,
NSC-60400,
AKOS024332189,
MCULE-9081761571,
SC-58453,
3-methoxy-3-(p-chlorophenyl)-1-chloropropane,
C10H12Cl2O,
C10-H12-Cl2-O,
CID97935,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.105g/mol |
| Monoisotopic Mass | 218.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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