AI33410
1380317-47-4 | 5-Carboxy-2-fluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AI33410
ChemicalName
5-Carboxy-2-fluorocinnamic acid
CasNumber
1380317-47-4
MolecularFormula
C10H7FO4
MolecularWeight
210.1586
MdlNumber
MFCD24039218
Smiles
OC(=O)/C=C/c1cc(ccc1F)C(=O)O
Complexity
287
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI33410
ChemicalName: 5-Carboxy-2-fluorocinnamic acid
CasNumber: 1380317-47-4
MolecularFormula: C10H7FO4
MolecularWeight: 210.1586
MdlNumber: MFCD24039218
Smiles: OC(=O)/C=C/c1cc(ccc1F)C(=O)O
Complexity: 287
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI33410
ChemicalName:
5-Carboxy-2-fluorocinnamic acid
CasNumber:
1380317-47-4
MolecularFormula:
C10H7FO4
MolecularWeight:
210.1586
MdlNumber:
MFCD24039218
Smiles:
OC(=O)/C=C/c1cc(ccc1F)C(=O)O
Complexity:
287
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(N)ncc1F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)c1cc(N)ncc1F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(OC(C)(C)C)Nc1ccn2c(c1)nc(n2)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)Nc1ccn2c(c1)nc(n2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)COc1cc(C)ccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)COc1cc(C)ccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__