| CAS Number | 50912-60-2 |
| Catalog Number | AG00D7XR(AGN-PC-0K79PQ) |
| Chemical Name | 1-(3-Bromopropoxy)-2-methylbenzene |
| IUPAC Name | 1-(3-bromopropoxy)-2-methylbenzene |
| InChI | InChI=1S/C10H13BrO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,7-8H2,1H3 |
| InChI Key | KZZRSCSVGUOXKY-UHFFFAOYSA-N |
| MDL Number | MFCD02030876 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | CC1=C(OCCCBr)C=CC=C1 |
| Synonyms | 1-(3-bromopropoxy)-2-methylbenzene,
50912-60-2,
AC1LV08W,
AC1Q2GE3,
SCHEMBL1772227,
CTK5J0303,
DTXSID30364627,
KZZRSCSVGUOXKY-UHFFFAOYSA-N,
3-bromopropyl 2-methylphenyl ether,
ZINC1871248,
MFCD02030876,
AKOS000345459,
AM87017,
NE19015,
CJ-30688,
EN300-49997,
I14-61110,
1- -2-METHYLBENZENE,
ZINC01871248,
CID1622574,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number