AI15444
1236115-18-6 | Methyl 6-methyl-1,3-benzothiazole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI15444
ChemicalName
Methyl 6-methyl-1,3-benzothiazole-2-carboxylate
CasNumber
1236115-18-6
MolecularFormula
C10H9NO2S
MolecularWeight
207.249
MdlNumber
MFCD22373213
Smiles
COC(=O)c1nc2c(s1)cc(cc2)C
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AI15444
ChemicalName: Methyl 6-methyl-1,3-benzothiazole-2-carboxylate
CasNumber: 1236115-18-6
MolecularFormula: C10H9NO2S
MolecularWeight: 207.249
MdlNumber: MFCD22373213
Smiles: COC(=O)c1nc2c(s1)cc(cc2)C
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AI15444
ChemicalName:
Methyl 6-methyl-1,3-benzothiazole-2-carboxylate
CasNumber:
1236115-18-6
MolecularFormula:
C10H9NO2S
MolecularWeight:
207.249
MdlNumber:
MFCD22373213
Smiles:
COC(=O)c1nc2c(s1)cc(cc2)C
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
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MolecularWeight: __
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Smiles: C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
__
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Smiles:
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Cc1cc(C)c2c(c1)n(C)nc2
Complexity: __
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__
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Smiles:
Cc1cc(C)c2c(c1)n(C)nc2
Complexity:
__
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__
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Nc1cc(N)c(cc1N)N.Br.Br.Br.Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
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__
MolecularFormula:
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__
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Smiles:
Nc1cc(N)c(cc1N)N.Br.Br.Br.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__