| CAS Number | 874534-61-9 |
| Catalog Number | AG003BTS(AGN-PC-07XUCH) |
| Chemical Name | 4-((Tetrahydrofuran-2-YL)methylcarbamoyl)phenylboronic acid |
| IUPAC Name | [4-(oxolan-2-ylmethylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H16BNO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h3-6,11,16-17H,1-2,7-8H2,(H,14,15) |
| InChI Key | BAQWKOHCDPHSRV-UHFFFAOYSA-N |
| MDL Number | MFCD12025995 |
| Molecular Formula | C12H16BNO4 |
| Molecular Weight | 249.0707 |
| SMILES | O=C(NCC1CCCO1)C2=CC=C(B(O)O)C=C2 |
| Synonyms | 874534-61-9,
(4-(((Tetrahydrofuran-2-yl)methyl)carbamoyl)phenyl)boronic acid,
4-((TETRAHYDROFURAN-2-YL)METHYLCARBAMOYL)PHENYLBORONIC ACID,
[4-(Tetrahydrofurfurylamino-1-carbonyl)phenyl]boronic acid,
ACMC-20aizn,
AMTB295,
DTXSID90675044,
ANW-75537,
MFCD12025995,
AKOS015855814,
RTR-027492,
OR361627,
AX8242423,
TR-027492,
B-4733,
I04-2941,
(4-{[(Oxolan-2-yl)methyl]carbamoyl}phenyl)boronic acid,
C12H16BNO4,
(4-(((Tetrahydrofuran-2-yl)methyl)carbamoyl)phenyl)boronicacid,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.073g/mol |
| Monoisotopic Mass | 249.117g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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