| CAS Number | 103857-79-0 |
| Catalog Number | AG019M0G |
| Chemical Name | 4-(3-bromopropoxy)-1,2-dimethylbenzene |
| IUPAC Name | 4-(3-bromopropoxy)-1,2-dimethylbenzene |
| InChI | InChI=1S/C11H15BrO/c1-9-4-5-11(8-10(9)2)13-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3 |
| InChI Key | CJDDDZNHLXWDEJ-UHFFFAOYSA-N |
| MDL Number | MFCD16653302 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | CC1=C(C)C=C(OCCCBr)C=C1 |
| Synonyms | 4-(3-bromopropoxy)-1,2-dimethylbenzene,
103857-79-0,
3-bromopropyl 3,4-dimethylphenyl ether,
(3-bromo-propyl)-(3,4-dimethyl-phenyl)-ether,
AC1Q2DZI,
CTK5J0271,
ZINC12480293,
AKOS000343437,
NE24749,
EN300-33620,
CID10890096,
4-(3-bromopropoxy)-1,2-dimethyl-benzene,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.144g/mol |
| Monoisotopic Mass | 242.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number