| CAS Number | 1131615-10-5 |
| Catalog Number | AG00HCNT(AGN-PC-0WD2C1) |
| Chemical Name | 3-Bromo-4-(difluoromethoxy)benzoic acid |
| IUPAC Name | 3-bromo-4-(difluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H5BrF2O3/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H,12,13) |
| InChI Key | INKZLKHFTCUQEE-UHFFFAOYSA-N |
| MDL Number | MFCD11110872 |
| Molecular Formula | C8H5BrF2O3 |
| Molecular Weight | 267.0243 |
| SMILES | OC(C1=CC(Br)=C(OC(F)F)C=C1)=O |
| Synonyms | 3-bromo-4-(difluoromethoxy)benzoic acid,
1131615-10-5,
CTK8E2201,
DTXSID70660973,
ZINC39951884,
AKOS012351861,
AJ-100964,
TC-067226,
FT-0654814,
4-[bis(fluoranyl)methoxy]-3-bromanyl-benzoic acid,
A802952,
I14-5397,
Z2798559700,
3-Bromo-4-(difluoromethoxy)benzoicacid,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.026g/mol |
| Monoisotopic Mass | 265.939g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number