| CAS Number | 162147-12-8 |
| Catalog Number | AG00AN56(AGN-PC-0ND2MD) |
| Chemical Name | 2-Bromo-5-isopropoxybenzaldehyde |
| IUPAC Name | 2-bromo-5-propan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C10H11BrO2/c1-7(2)13-9-3-4-10(11)8(5-9)6-12/h3-7H,1-2H3 |
| InChI Key | RFXGGROPXWWLIF-UHFFFAOYSA-N |
| MDL Number | MFCD24119204 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | O=CC1=CC(OC(C)C)=CC=C1Br |
| Synonyms | 2-bromo-5-isopropoxybenzaldehyde,
162147-12-8,
SCHEMBL7015729,
KS-00000LMC,
2-bromo-5-isopropoxy-benzaldehyde,
RFXGGROPXWWLIF-UHFFFAOYSA-N,
MFCD24119204,
ZINC34570860,
AKOS020074083,
2-bromo-5-(propan-2-yloxy)benzaldehyde,
AK372337,
DS-13244,
Z1460320168,
2-bromo-5-propan-2-yloxy-benzaldehyde,
CID10933678,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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