| CAS Number | 82625-25-0 |
| Catalog Number | AG005CEM(AGN-PC-0KWBW8) |
| Chemical Name | 4-(3-Chloropropoxy)benzaldehyde |
| IUPAC Name | 4-(3-chloropropoxy)benzaldehyde |
| InChI | InChI=1S/C10H11ClO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2 |
| InChI Key | CKGQJZWAOFNWQT-UHFFFAOYSA-N |
| MDL Number | MFCD00021077 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | ClCCCOC1=CC=C(C=O)C=C1 |
| Synonyms | 4-(3-chloropropoxy)benzaldehyde,
82625-25-0,
Benzaldehyde, 4-(3-chloropropoxy)-,
4-chloropropoxybenzaldehyde,
AC1MS012,
SCHEMBL3577668,
CTK3D8150,
DTXSID00393565,
4-(3-chloropropoxy) benzaldehyde,
CKGQJZWAOFNWQT-UHFFFAOYSA-N,
4-(3-Chloro-propoxy)-benzaldehyde,
KS-000021UM,
ZINC2163896,
4-(3-chloropropoxy)benzenecarbaldehyde,
AKOS000295458,
MCULE-6524820458,
4-(3-CHLOROPROPOXY)-BENZALDEHYDE,
9X-0956,
CID3551479,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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