| CAS Number | 941710-30-1 |
| Catalog Number | AG003A5K(AGN-PC-0WAN77) |
| Chemical Name | 7-bromo-3,4-dihydro-2H-1-benzopyran |
| IUPAC Name | 7-bromo-3,4-dihydro-2H-chromene |
| InChI | InChI=1S/C9H9BrO/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6H,1-2,5H2 |
| InChI Key | BCDHMTIEVNKNCV-UHFFFAOYSA-N |
| MDL Number | MFCD08273918 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | BrC1=CC2=C(C=C1)CCCO2 |
| Synonyms | 7-bromochroman,
941710-30-1,
2H-1-Benzopyran, 7-bromo-3,4-dihydro-,
AK172637,
SCHEMBL3524411,
KS-00000RY1,
MFCD22536189,
AKOS023771901,
ZINC108274991,
CB-4199,
DS-8117,
FCH2270100,
DA-00612,
AX8297013,
CS-0028282,
FT-0701988,
7-BROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN,
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| Complexity | 138 |
| 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 | 0 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number