AH95367
936728-20-0 | 3-Carboxy-5-methoxyphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AH95367
ChemicalName
3-Carboxy-5-methoxyphenylboronic acid, pinacol ester
CasNumber
936728-20-0
MolecularFormula
C14H19BO5
MolecularWeight
278.1087
MdlNumber
MFCD12546609
Smiles
COc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity
366
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AH95367
ChemicalName: 3-Carboxy-5-methoxyphenylboronic acid, pinacol ester
CasNumber: 936728-20-0
MolecularFormula: C14H19BO5
MolecularWeight: 278.1087
MdlNumber: MFCD12546609
Smiles: COc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AH95367
ChemicalName:
3-Carboxy-5-methoxyphenylboronic acid, pinacol ester
CasNumber:
936728-20-0
MolecularFormula:
C14H19BO5
MolecularWeight:
278.1087
MdlNumber:
MFCD12546609
Smiles:
COc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@]2(C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@]2(C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)c1cccc(c1)C(=O)O)OC
Complexity: 305
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)c1cccc(c1)C(=O)O)OC
Complexity:
305
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AH95370
ChemicalName: 8-Bromo-5-trifluoromethylquinoline
CasNumber: 917251-92-4
MolecularFormula: C10H5BrF3N
MolecularWeight: 276.0526096
MdlNumber: MFCD11504935
Smiles: Brc1ccc(c2c1nccc2)C(F)(F)F
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AH95370
ChemicalName:
8-Bromo-5-trifluoromethylquinoline
CasNumber:
917251-92-4
MolecularFormula:
C10H5BrF3N
MolecularWeight:
276.0526096
MdlNumber:
MFCD11504935
Smiles:
Brc1ccc(c2c1nccc2)C(F)(F)F
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__