AI39027
1715957-78-0 | Ethyl (2e)-3-(2-bromopyridin-3-yl)acrylate
Manufacturer: A2B Chem
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CatalogNumber
AI39027
ChemicalName
Ethyl (2e)-3-(2-bromopyridin-3-yl)acrylate
CasNumber
1715957-78-0
MolecularFormula
C10H10BrNO2
MolecularWeight
256.0959
MdlNumber
MFCD26517231
Smiles
CCOC(=O)/C=C/c1cccnc1Br
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedBondStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AI39027
ChemicalName: Ethyl (2e)-3-(2-bromopyridin-3-yl)acrylate
CasNumber: 1715957-78-0
MolecularFormula: C10H10BrNO2
MolecularWeight: 256.0959
MdlNumber: MFCD26517231
Smiles: CCOC(=O)/C=C/c1cccnc1Br
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedBondStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AI39027
ChemicalName:
Ethyl (2e)-3-(2-bromopyridin-3-yl)acrylate
CasNumber:
1715957-78-0
MolecularFormula:
C10H10BrNO2
MolecularWeight:
256.0959
MdlNumber:
MFCD26517231
Smiles:
CCOC(=O)/C=C/c1cccnc1Br
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedBondStereocenterCount:
1
Xlogp3:
2.5
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Smiles: COC(=O)c1cccc(n1)CN.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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Smiles:
COC(=O)c1cccc(n1)CN.Cl
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedBondStereocenterCount:
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Smiles: OC(=O)c1ccc(=O)n(n1)Cc1ccccc1
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Smiles:
OC(=O)c1ccc(=O)n(n1)Cc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedBondStereocenterCount:
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Smiles: O=c1cc(/C=C/c2ccccc2)oc(c1)/C=C/c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc(/C=C/c2ccccc2)oc(c1)/C=C/c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__