| CAS Number | 1369869-79-3 |
| Catalog Number | AG009WVV(AGN-PC-0WNW94) |
| Chemical Name | 4-Bromo-2-chloro-1-(cyclopropylmethoxy)benzene |
| IUPAC Name | 4-bromo-2-chloro-1-(cyclopropylmethoxy)benzene |
| InChI | InChI=1S/C10H10BrClO/c11-8-3-4-10(9(12)5-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2 |
| InChI Key | IFFJNPNWEBIHTF-UHFFFAOYSA-N |
| MDL Number | MFCD23135933 |
| Molecular Formula | C10H10BrClO |
| Molecular Weight | 261.5428 |
| SMILES | BrC1=CC(=C(C=C1)OCC1CC1)Cl |
| Synonyms | 4-Bromo-2-chloro-1-(cyclopropylmethoxy)benzene,
1369869-79-3,
ZINC95218068,
V2672,
C10H10BrClO,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.543g/mol |
| Monoisotopic Mass | 259.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
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