AG29789
439107-94-5 | 6-Bromobenzofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG29789
ChemicalName
6-Bromobenzofuran-2-carboxylic acid
CasNumber
439107-94-5
MolecularFormula
C9H5BrO3
MolecularWeight
241.0382
MdlNumber
MFCD03012913
Smiles
Brc1ccc2c(c1)oc(c2)C(=O)O
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AG29789
ChemicalName: 6-Bromobenzofuran-2-carboxylic acid
CasNumber: 439107-94-5
MolecularFormula: C9H5BrO3
MolecularWeight: 241.0382
MdlNumber: MFCD03012913
Smiles: Brc1ccc2c(c1)oc(c2)C(=O)O
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AG29789
ChemicalName:
6-Bromobenzofuran-2-carboxylic acid
CasNumber:
439107-94-5
MolecularFormula:
C9H5BrO3
MolecularWeight:
241.0382
MdlNumber:
MFCD03012913
Smiles:
Brc1ccc2c(c1)oc(c2)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: O=C(OC(C)(C)C)NCCc1ccc(o1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(OC(C)(C)C)NCCc1ccc(o1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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Covalently-bondedUnitCount:
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Xlogp3:
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CatalogNumber: AG29792
ChemicalName: (3-Oxo-butyl)-carbamic acid tert-butyl ester
CasNumber: 54614-95-8
MolecularFormula: C9H17NO3
MolecularWeight: 187.2362
MdlNumber: MFCD14539579
Smiles: CC(=O)CCNC(=O)OC(C)(C)C
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AG29792
ChemicalName:
(3-Oxo-butyl)-carbamic acid tert-butyl ester
CasNumber:
54614-95-8
MolecularFormula:
C9H17NO3
MolecularWeight:
187.2362
MdlNumber:
MFCD14539579
Smiles:
CC(=O)CCNC(=O)OC(C)(C)C
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.6