| CAS Number | 1114808-89-7 |
| Catalog Number | AG0094GM(AGN-PC-0WAJWR) |
| Chemical Name | 4-Bromo-2-ethylbenzaldehyde |
| IUPAC Name | 4-bromo-2-ethylbenzaldehyde |
| InChI | InChI=1S/C9H9BrO/c1-2-7-5-9(10)4-3-8(7)6-11/h3-6H,2H2,1H3 |
| InChI Key | SQLKXUKAJYHRNP-UHFFFAOYSA-N |
| MDL Number | MFCD09835094 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | O=CC1=CC=C(Br)C=C1CC |
| Synonyms | 4-Bromo-2-ethylbenzaldehyde,
1114808-89-7,
4-bromo-2-ethyl benzaldehyde,
4-Bromo-2-ethyl-benzaldehyde,
SCHEMBL3654095,
Benzaldehyde, 4-bromo-2-ethyl-,
SQLKXUKAJYHRNP-UHFFFAOYSA-N,
MFCD09835094,
ZINC67802606,
AKOS022181555,
FCH1393938,
AK-61455,
DS-14775,
AJ-117055,
AX8218047,
ST24043375,
Y3665,
Q-7624,
C9H9BrO,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precuationary statements
|
|
|
Siginal words
|
|
Certificate of Analysis
Lot Number