| CAS Number | 874459-89-9 |
| Catalog Number | AG004FUM(AGN-PC-0WA9MS) |
| Chemical Name | 4-(propargylaminocarbonyl)phenylboronic acid |
| IUPAC Name | [4-(prop-2-ynylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H10BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h1,3-6,14-15H,7H2,(H,12,13) |
| InChI Key | HKEKSLIZBDCTPR-UHFFFAOYSA-N |
| MDL Number | MFCD04115675 |
| Molecular Formula | C10H10BNO3 |
| Molecular Weight | 203.0023 |
| SMILES | OB(O)C1=CC=C(C=C1)C(=O)NCC#C |
| Synonyms | 874459-89-9,
4-(propargylaminocarbonyl)phenylboronic acid,
(4-(Prop-2-yn-1-ylcarbamoyl)phenyl)boronic acid,
ACMC-209qnf,
CTK5F8463,
DTXSID20681759,
ANW-38809,
MFCD04115675,
AKOS015837689,
ZINC169935027,
OR360452,
AX8240043,
TR-038117,
V8503,
B-5515,
{4-[(Prop-2-yn-1-yl)carbamoyl]phenyl}boronic acid,
I04-6386,
C10H10BNO3,
(4-(Prop-2-yn-1-ylcarbamoyl)phenyl)boronicacid,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.004g/mol |
| Monoisotopic Mass | 203.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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