| CAS Number | 1704069-21-5 |
| Catalog Number | AG00AR7Q(AGN-PC-0WCRNI) |
| Chemical Name | (3-((2-Methoxyphenyl)carbamoyl)phenyl)boronic acid |
| IUPAC Name | [3-[(2-methoxyphenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H14BNO4/c1-20-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(9-10)15(18)19/h2-9,18-19H,1H3,(H,16,17) |
| InChI Key | JCVYOHCBRLCUSA-UHFFFAOYSA-N |
| MDL Number | MFCD28384303 |
| Molecular Formula | C14H14BNO4 |
| Molecular Weight | 271.0763 |
| SMILES | O=C(C2=CC(B(O)O)=CC=C2)NC1=CC=CC=C1OC |
| Synonyms | (3-((2-methoxyphenyl)carbamoyl)phenyl)boronic acid,
1704069-21-5,
{3-[(2-methoxyphenyl)carbamoyl]phenyl}boronic acid,
MFCD28384303,
ZINC230541676,
AM88388,
AS-55314,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.079g/mol |
| Monoisotopic Mass | 271.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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