AA26939
123654-26-2 | 4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA26939
ChemicalName
4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
CasNumber
123654-26-2
MolecularFormula
C9H8ClNO3
MolecularWeight
213.6177
MdlNumber
MFCD12923204
Smiles
OC(=O)c1cc(Cl)c(c2c1OCC2)N
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AA26939
ChemicalName: 4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
CasNumber: 123654-26-2
MolecularFormula: C9H8ClNO3
MolecularWeight: 213.6177
MdlNumber: MFCD12923204
Smiles: OC(=O)c1cc(Cl)c(c2c1OCC2)N
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA26939
ChemicalName:
4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
CasNumber:
123654-26-2
MolecularFormula:
C9H8ClNO3
MolecularWeight:
213.6177
MdlNumber:
MFCD12923204
Smiles:
OC(=O)c1cc(Cl)c(c2c1OCC2)N
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
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CasNumber: __
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Smiles: CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.[Ti+4]
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.[Ti+4]
Complexity:
__
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: FC(c1ccc(cc1)OC1CNC1)(F)F.Cl
Complexity: __
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Xlogp3: __
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ChemicalName:
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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:
FC(c1ccc(cc1)OC1CNC1)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1)OC1CNC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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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:
COc1ccc(cc1)OC1CNC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__