AA46049
131748-96-4 | 2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA46049
ChemicalName
2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester
CasNumber
131748-96-4
MolecularFormula
C7H6F3NO2S
MolecularWeight
225.1882
MdlNumber
MFCD09055619
Smiles
CCOC(=O)c1cnc(s1)C(F)(F)F
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
7
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AA46049
ChemicalName: 2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester
CasNumber: 131748-96-4
MolecularFormula: C7H6F3NO2S
MolecularWeight: 225.1882
MdlNumber: MFCD09055619
Smiles: CCOC(=O)c1cnc(s1)C(F)(F)F
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA46049
ChemicalName:
2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester
CasNumber:
131748-96-4
MolecularFormula:
C7H6F3NO2S
MolecularWeight:
225.1882
MdlNumber:
MFCD09055619
Smiles:
CCOC(=O)c1cnc(s1)C(F)(F)F
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AA46050
ChemicalName: (2-Bromothiazol-5-yl)methanamine
CasNumber: 131748-92-0
MolecularFormula: C4H5BrN2S
MolecularWeight: 193.0649
MdlNumber: MFCD08143030
Smiles: NCc1cnc(s1)Br
Complexity: 80.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AA46050
ChemicalName:
(2-Bromothiazol-5-yl)methanamine
CasNumber:
131748-92-0
MolecularFormula:
C4H5BrN2S
MolecularWeight:
193.0649
MdlNumber:
MFCD08143030
Smiles:
NCc1cnc(s1)Br
Complexity:
80.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cnc(s1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cnc(s1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA46055
ChemicalName: Ethyl 4-bromo-3-oxobutanoate
CasNumber: 13176-46-0
MolecularFormula: C6H9BrO3
MolecularWeight: 209.0379
MdlNumber: MFCD07783015
Smiles: CCOC(=O)CC(=O)CBr
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1
CatalogNumber:
AA46055
ChemicalName:
Ethyl 4-bromo-3-oxobutanoate
CasNumber:
13176-46-0
MolecularFormula:
C6H9BrO3
MolecularWeight:
209.0379
MdlNumber:
MFCD07783015
Smiles:
CCOC(=O)CC(=O)CBr
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1