AD78592
107818-55-3 | Methyl 3-amino-5-bromothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD78592
ChemicalName
Methyl 3-amino-5-bromothiophene-2-carboxylate
CasNumber
107818-55-3
MolecularFormula
C6H6BrNO2S
MolecularWeight
236.0863
MdlNumber
MFCD12031265
Smiles
COC(=O)c1sc(cc1N)Br
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AD78592
ChemicalName: Methyl 3-amino-5-bromothiophene-2-carboxylate
CasNumber: 107818-55-3
MolecularFormula: C6H6BrNO2S
MolecularWeight: 236.0863
MdlNumber: MFCD12031265
Smiles: COC(=O)c1sc(cc1N)Br
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AD78592
ChemicalName:
Methyl 3-amino-5-bromothiophene-2-carboxylate
CasNumber:
107818-55-3
MolecularFormula:
C6H6BrNO2S
MolecularWeight:
236.0863
MdlNumber:
MFCD12031265
Smiles:
COC(=O)c1sc(cc1N)Br
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: C(Oc1cccc(c1)OCc1ccc2c(n1)cccc2)CCc1nnn[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C(Oc1cccc(c1)OCc1ccc2c(n1)cccc2)CCc1nnn[nH]1
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: CC(CCCOC(=O)C(=C)C#N)C
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Smiles:
CC(CCCOC(=O)C(=C)C#N)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1cc(N)ccc1OCCCCCOc1ccccc1
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc(N)ccc1OCCCCCOc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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