AI62592
936728-23-3 | 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62592
ChemicalName
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CasNumber
936728-23-3
MolecularFormula
C14H19BO5
MolecularWeight
278.1087
MdlNumber
MFCD22493659
Smiles
COc1cc(ccc1C(=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: AI62592
ChemicalName: 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CasNumber: 936728-23-3
MolecularFormula: C14H19BO5
MolecularWeight: 278.1087
MdlNumber: MFCD22493659
Smiles: COc1cc(ccc1C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AI62592
ChemicalName:
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CasNumber:
936728-23-3
MolecularFormula:
C14H19BO5
MolecularWeight:
278.1087
MdlNumber:
MFCD22493659
Smiles:
COc1cc(ccc1C(=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=CCc1ccc(c(c1)c1cc(ccc1O)C[C@H](CO)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1ccc(c(c1)c1cc(ccc1O)C[C@H](CO)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccccc1c1cc2c(s1)cccc2
Complexity: 243
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccccc1c1cc2c(s1)cccc2
Complexity:
243
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI62595
ChemicalName: 3-Aminoisoindolin-1-one
CasNumber: 93679-99-3
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD12924137
Smiles: O=C1NC(c2c1cccc2)N
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
CatalogNumber:
AI62595
ChemicalName:
3-Aminoisoindolin-1-one
CasNumber:
93679-99-3
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD12924137
Smiles:
O=C1NC(c2c1cccc2)N
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__