AC49735
773131-93-4 | (2E)-3-[6-(Trifluoromethyl)pyridin-3-yl]propenoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC49735
ChemicalName
(2E)-3-[6-(Trifluoromethyl)pyridin-3-yl]propenoic acid
CasNumber
773131-93-4
MolecularFormula
C9H6F3NO2
MolecularWeight
217.1446
MdlNumber
MFCD06205688
Smiles
OC(=O)/C=C/c1ccc(nc1)C(F)(F)F
Complexity
263
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AC49735
ChemicalName: (2E)-3-[6-(Trifluoromethyl)pyridin-3-yl]propenoic acid
CasNumber: 773131-93-4
MolecularFormula: C9H6F3NO2
MolecularWeight: 217.1446
MdlNumber: MFCD06205688
Smiles: OC(=O)/C=C/c1ccc(nc1)C(F)(F)F
Complexity: 263
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AC49735
ChemicalName:
(2E)-3-[6-(Trifluoromethyl)pyridin-3-yl]propenoic acid
CasNumber:
773131-93-4
MolecularFormula:
C9H6F3NO2
MolecularWeight:
217.1446
MdlNumber:
MFCD06205688
Smiles:
OC(=O)/C=C/c1ccc(nc1)C(F)(F)F
Complexity:
263
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: CCOC(=O)c1c[nH]c2c1cccc2C
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Smiles:
CCOC(=O)c1c[nH]c2c1cccc2C
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Smiles: OC(=O)CC(c1ccc(o1)c1ccc(cc1)Br)N
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Smiles:
OC(=O)CC(c1ccc(o1)c1ccc(cc1)Br)N
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Smiles: Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
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DefinedBondStereocenterCount: __
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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:
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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