AI33837
1393442-01-7 | 3-[3-(carboxymethyl)phenyl]-5-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI33837
ChemicalName
3-[3-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CasNumber
1393442-01-7
MolecularFormula
C15H11FO4
MolecularWeight
274.2438
MdlNumber
MFCD22383716
Smiles
OC(=O)Cc1cccc(c1)c1cc(F)cc(c1)C(=O)O
Complexity
371
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AI33837
ChemicalName: 3-[3-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CasNumber: 1393442-01-7
MolecularFormula: C15H11FO4
MolecularWeight: 274.2438
MdlNumber: MFCD22383716
Smiles: OC(=O)Cc1cccc(c1)c1cc(F)cc(c1)C(=O)O
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AI33837
ChemicalName:
3-[3-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CasNumber:
1393442-01-7
MolecularFormula:
C15H11FO4
MolecularWeight:
274.2438
MdlNumber:
MFCD22383716
Smiles:
OC(=O)Cc1cccc(c1)c1cc(F)cc(c1)C(=O)O
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
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Smiles: CC(CCn1ncc(c1)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(CCn1ncc(c1)O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=O)/C=C/c1ccnn1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)/C=C/c1ccnn1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)[C@H](NC(=O)OC(C)(C)C)CC1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](NC(=O)OC(C)(C)C)CC1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__