AA09426
10242-12-3 | 5-Nitrobenzofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA09426
ChemicalName
5-Nitrobenzofuran-2-carboxylic acid
CasNumber
10242-12-3
MolecularFormula
C9H5NO5
MolecularWeight
207.1397
MdlNumber
MFCD00060513
Smiles
OC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AA09426
ChemicalName: 5-Nitrobenzofuran-2-carboxylic acid
CasNumber: 10242-12-3
MolecularFormula: C9H5NO5
MolecularWeight: 207.1397
MdlNumber: MFCD00060513
Smiles: OC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA09426
ChemicalName:
5-Nitrobenzofuran-2-carboxylic acid
CasNumber:
10242-12-3
MolecularFormula:
C9H5NO5
MolecularWeight:
207.1397
MdlNumber:
MFCD00060513
Smiles:
OC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AA09427
ChemicalName: 5-Bromobenzofuran-2-carboxylic acid
CasNumber: 10242-11-2
MolecularFormula: C9H5BrO3
MolecularWeight: 241.0382
MdlNumber: MFCD00093973
Smiles: Brc1ccc2c(c1)cc(o2)C(=O)O
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AA09427
ChemicalName:
5-Bromobenzofuran-2-carboxylic acid
CasNumber:
10242-11-2
MolecularFormula:
C9H5BrO3
MolecularWeight:
241.0382
MdlNumber:
MFCD00093973
Smiles:
Brc1ccc2c(c1)cc(o2)C(=O)O
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)cc(o2)C(=O)O
Complexity: 219
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)cc(o2)C(=O)O
Complexity:
219
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)cc(o2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)cc(o2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__