AI61200
914301-44-3 | 2-Fluoro-3-(methoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61200
ChemicalName
2-Fluoro-3-(methoxycarbonyl)benzoic acid
CasNumber
914301-44-3
MolecularFormula
C9H7FO4
MolecularWeight
198.1479
MdlNumber
MFCD12406363
Smiles
COC(=O)c1cccc(c1F)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AI61200
ChemicalName: 2-Fluoro-3-(methoxycarbonyl)benzoic acid
CasNumber: 914301-44-3
MolecularFormula: C9H7FO4
MolecularWeight: 198.1479
MdlNumber: MFCD12406363
Smiles: COC(=O)c1cccc(c1F)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AI61200
ChemicalName:
2-Fluoro-3-(methoxycarbonyl)benzoic acid
CasNumber:
914301-44-3
MolecularFormula:
C9H7FO4
MolecularWeight:
198.1479
MdlNumber:
MFCD12406363
Smiles:
COC(=O)c1cccc(c1F)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CNC(=O)c1cccc(c1)c1cncc(c1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularWeight:
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MdlNumber:
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Smiles:
CNC(=O)c1cccc(c1)c1cncc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1cncc(c1)c1cccc(c1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Oc1cncc(c1)c1cccc(c1)C(=O)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(c1cccc(c1n1ccnc1c1ccccc1)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1n1ccnc1c1ccccc1)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__