| CAS Number | 1072945-73-3 |
| Catalog Number | AG007ESE(AGN-PC-0WA7KC) |
| Chemical Name | 3-(Cyclohexyl(methyl)carbamoyl)phenylboronic acid |
| IUPAC Name | [3-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H20BNO3/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(10-11)15(18)19/h5-7,10,13,18-19H,2-4,8-9H2,1H3 |
| InChI Key | MFWBKTUXYRRWCS-UHFFFAOYSA-N |
| MDL Number | MFCD09972095 |
| Molecular Formula | C14H20BNO3 |
| Molecular Weight | 261.1245 |
| SMILES | C1(CCCCC1)N(C(=O)C=1C=C(C=CC1)B(O)O)C |
| Synonyms | 1072945-73-3,
(3-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid,
3-(CYCLOHEXYL(METHYL)CARBAMOYL)PHENYLBORONIC ACID,
{3-[Cyclohexyl(methyl)carbamoyl]phenyl}boronic acid,
ACMC-2098qi,
SCHEMBL12537860,
CTK4A5201,
DTXSID10674337,
ANW-15592,
AKOS015840891,
ZINC169794549,
RTR-001523,
TR-001523,
X1532,
A-4516,
I04-2350,
3-(cyclohexyl(methyl)carbamoyl)phenylboronic acid, AldrichCPR,
C14H20BNO3,
(3-(Cyclohexyl(methyl)carbamoyl)phenyl)boronicacid,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.128g/mol |
| Monoisotopic Mass | 261.154g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8A^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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H319
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Packing Group
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Precautionary statements
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P264-P280-P305+P351+P338-P337+P313
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UN Code
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Certificate of Analysis
Lot Number