AH21280
729590-69-6 | 2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH21280
ChemicalName
2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
CasNumber
729590-69-6
MolecularFormula
C10H12BrNO2S
MolecularWeight
290.1768
MdlNumber
MFCD22565626
Smiles
CCOC(=O)C1CCCc2c1nc(s2)Br
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AH21280
ChemicalName: 2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
CasNumber: 729590-69-6
MolecularFormula: C10H12BrNO2S
MolecularWeight: 290.1768
MdlNumber: MFCD22565626
Smiles: CCOC(=O)C1CCCc2c1nc(s2)Br
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AH21280
ChemicalName:
2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
CasNumber:
729590-69-6
MolecularFormula:
C10H12BrNO2S
MolecularWeight:
290.1768
MdlNumber:
MFCD22565626
Smiles:
CCOC(=O)C1CCCc2c1nc(s2)Br
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
CatalogNumber: AH21281
ChemicalName: 3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester
CasNumber: 706820-79-3
MolecularFormula: C9H7BrO4
MolecularWeight: 259.0535
MdlNumber: MFCD22565644
Smiles: COC(=O)c1cc(C=O)c(c(c1)Br)O
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AH21281
ChemicalName:
3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester
CasNumber:
706820-79-3
MolecularFormula:
C9H7BrO4
MolecularWeight:
259.0535
MdlNumber:
MFCD22565644
Smiles:
COC(=O)c1cc(C=O)c(c(c1)Br)O
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(c(c1)[N+](=O)[O-])Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CN(c1ccc(c(c1)[N+](=O)[O-])Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(c(c1)I)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(c(c1)I)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__