| CAS Number | 1704063-96-6 |
| Catalog Number | AG00ARL8(AGN-PC-0WANIE) |
| Chemical Name | (3-((Dimethylamino)methyl)-4-fluorophenyl)boronic acid |
| IUPAC Name | [3-[(dimethylamino)methyl]-4-fluorophenyl]boronic acid |
| InChI | InChI=1S/C9H13BFNO2/c1-12(2)6-7-5-8(10(13)14)3-4-9(7)11/h3-5,13-14H,6H2,1-2H3 |
| InChI Key | DOELLJCGVGGUBJ-UHFFFAOYSA-N |
| MDL Number | MFCD27935575 |
| Molecular Formula | C9H13BFNO2 |
| Molecular Weight | 197.0144 |
| SMILES | CN(CC1=C(F)C=CC(B(O)O)=C1)C |
| Synonyms | 1704063-96-6,
(3-((dimethylamino)methyl)-4-fluorophenyl)boronic acid,
3-((dimethylamino)methyl)-4-fluorophenylboronic acid,
AK165711,
{3-[(Dimethylamino)methyl]-4-fluorophenyl}boronic acid,
KS-00000SUB,
MFCD27935575,
AKOS025286227,
ZINC170001129,
AM87867,
DS-9031,
FCH2502458,
EN300-234202,
DOELLJCGVGGUBJ-UHFFFAOYSA-N,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.016g/mol |
| Monoisotopic Mass | 197.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number