| CAS Number | 1114808-82-0 |
| Catalog Number | AG008TV2(AGN-PC-0WD075) |
| Chemical Name | 4-Bromo-2-isopropylbenzaldehyde |
| IUPAC Name | 4-bromo-2-propan-2-ylbenzaldehyde |
| InChI | InChI=1S/C10H11BrO/c1-7(2)10-5-9(11)4-3-8(10)6-12/h3-7H,1-2H3 |
| InChI Key | DFXITAWUSFVYAL-UHFFFAOYSA-N |
| MDL Number | MFCD09835100 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | O=CC1=CC=C(Br)C=C1C(C)C |
| Synonyms | 4-Bromo-2-isopropylbenzaldehyde,
1114808-82-0,
W-204755,
SCHEMBL15264345,
DFXITAWUSFVYAL-UHFFFAOYSA-N,
4-bromo-2-propan-2-ylbenzaldehyde,
MFCD09835100,
ZINC67802829,
AKOS022181537,
FCH1393939,
RP05428,
AS-44129,
AJ-117068,
ST24043393,
Y7049,
Q-7137,
J-514661,
C10H11BrO,
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| Complexity | 156 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
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UN Code
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Certificate of Analysis
Lot Number