AC88647
92991-89-4 | (2E)-3-(2-Bromophenyl)-2-propenoic acid, methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC88647
ChemicalName
(2E)-3-(2-Bromophenyl)-2-propenoic acid, methyl ester
CasNumber
92991-89-4
MolecularFormula
C10H9BrO2
MolecularWeight
241.08126000000004
MdlNumber
MFCD11111009
Smiles
COC(=O)/C=C/c1ccccc1Br
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedBondStereocenterCount
1
Xlogp3
2.9
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CatalogNumber: AC88647
ChemicalName: (2E)-3-(2-Bromophenyl)-2-propenoic acid, methyl ester
CasNumber: 92991-89-4
MolecularFormula: C10H9BrO2
MolecularWeight: 241.08126000000004
MdlNumber: MFCD11111009
Smiles: COC(=O)/C=C/c1ccccc1Br
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedBondStereocenterCount: 1
Xlogp3: 2.9
CatalogNumber:
AC88647
ChemicalName:
(2E)-3-(2-Bromophenyl)-2-propenoic acid, methyl ester
CasNumber:
92991-89-4
MolecularFormula:
C10H9BrO2
MolecularWeight:
241.08126000000004
MdlNumber:
MFCD11111009
Smiles:
COC(=O)/C=C/c1ccccc1Br
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedBondStereocenterCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1sc(=O)n(n1)CSP(=S)(OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1sc(=O)n(n1)CSP(=S)(OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedBondStereocenterCount:
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MolecularFormula: __
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Smiles: OCc1nc(Cl)c(nc1N)Cl
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Xlogp3: __
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Smiles:
OCc1nc(Cl)c(nc1N)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedBondStereocenterCount:
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Xlogp3:
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Smiles: Brc1ccc(cc1)CS(=O)(=O)NC1CCCC1
Complexity: __
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HydrogenBondAcceptorCount: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Brc1ccc(cc1)CS(=O)(=O)NC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__