| CAS Number | 494773-67-0 |
| Catalog Number | AG00DIW3(AGN-PC-03HNAP) |
| Chemical Name | 1-Bromo-2-(cyclopropylmethoxy)benzene |
| IUPAC Name | 1-bromo-2-(cyclopropylmethoxy)benzene |
| InChI | InChI=1S/C10H11BrO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7H2 |
| InChI Key | IIXPTSUWKTZRRW-UHFFFAOYSA-N |
| MDL Number | MFCD12138831 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | BrC1=C(OCC2CC2)C=CC=C1 |
| Synonyms | 1-Bromo-2-(cyclopropylmethoxy)benzene,
494773-67-0,
ACMC-209kgc,
SCHEMBL981768,
CTK4J1318,
DTXSID00619999,
IIXPTSUWKTZRRW-UHFFFAOYSA-N,
1-Bromo-2-cyclopropylmethoxy-benzene,
ANW-30778,
MFCD12138831,
ZINC36765372,
AKOS009591342,
AJ-93340,
Benzene, 1-bromo-2-(cyclopropylmethoxy)-,
TR-036880,
V6179,
B-2586,
I01-10869,
C10H11BrO,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.101g/mol |
| Monoisotopic Mass | 225.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number