AI37551
1567668-00-1 | (2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI37551
ChemicalName
(2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid
CasNumber
1567668-00-1
MolecularFormula
C8H6FNO2
MolecularWeight
167.1371
MdlNumber
MFCD28166411
Smiles
OC(=O)/C=C/c1ccncc1F
Complexity
194
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AI37551
ChemicalName: (2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid
CasNumber: 1567668-00-1
MolecularFormula: C8H6FNO2
MolecularWeight: 167.1371
MdlNumber: MFCD28166411
Smiles: OC(=O)/C=C/c1ccncc1F
Complexity: 194
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AI37551
ChemicalName:
(2E)-3-(3-fluoropyridin-4-yl)prop-2-enoic acid
CasNumber:
1567668-00-1
MolecularFormula:
C8H6FNO2
MolecularWeight:
167.1371
MdlNumber:
MFCD28166411
Smiles:
OC(=O)/C=C/c1ccncc1F
Complexity:
194
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCC(=CC(=O)OCC)C
Complexity: __
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Smiles:
CCCC(=CC(=O)OCC)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: OC[C@H]1CC[C@@H]2N(C1)CCN(C2)C(=O)OC(C)(C)C
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC[C@H]1CC[C@@H]2N(C1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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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: CCCOc1ccc(cc1Br)N
Complexity: __
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MolecularFormula:
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Smiles:
CCCOc1ccc(cc1Br)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__