AB57234
154235-77-5 | 1,3-benzoxazole-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57234
ChemicalName
1,3-benzoxazole-6-carboxylic acid
CasNumber
154235-77-5
MolecularFormula
C8H5NO3
MolecularWeight
163.1302
MdlNumber
MFCD09954949
Smiles
OC(=O)c1ccc2c(c1)ocn2
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB57234
ChemicalName: 1,3-benzoxazole-6-carboxylic acid
CasNumber: 154235-77-5
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD09954949
Smiles: OC(=O)c1ccc2c(c1)ocn2
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB57234
ChemicalName:
1,3-benzoxazole-6-carboxylic acid
CasNumber:
154235-77-5
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD09954949
Smiles:
OC(=O)c1ccc2c(c1)ocn2
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C=CC(=O)c2c1cccc2.O=C1C=CC(=O)c2c1cccc2.Cc1cc(C)c(c(c1)C)N1C=CN(#C1)c1c(C)cc(cc1C)C.Cc1cc(C)c(c(c1)C)N1C=CN(#C1)c1c(C)cc(cc1C)C.[Pd].[Pd]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1C=CC(=O)c2c1cccc2.O=C1C=CC(=O)c2c1cccc2.Cc1cc(C)c(c(c1)C)N1C=CN(#C1)c1c(C)cc(cc1C)C.Cc1cc(C)c(c(c1)C)N1C=CN(#C1)c1c(C)cc(cc1C)C.[Pd].[Pd]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1N1CCN(P1=O)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1N1CCN(P1=O)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1N1C=CN([C]1)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1N1C=CN([C]1)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__