AB61404
5198-88-9 | 2-Bromothiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61404
ChemicalName
2-Bromothiazole-4-carboxylic acid
CasNumber
5198-88-9
MolecularFormula
C4H2BrNO2S
MolecularWeight
208.0332
MdlNumber
MFCD04115729
Smiles
OC(=O)c1csc(n1)Br
Complexity
132
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB61404
ChemicalName: 2-Bromothiazole-4-carboxylic acid
CasNumber: 5198-88-9
MolecularFormula: C4H2BrNO2S
MolecularWeight: 208.0332
MdlNumber: MFCD04115729
Smiles: OC(=O)c1csc(n1)Br
Complexity: 132
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB61404
ChemicalName:
2-Bromothiazole-4-carboxylic acid
CasNumber:
5198-88-9
MolecularFormula:
C4H2BrNO2S
MolecularWeight:
208.0332
MdlNumber:
MFCD04115729
Smiles:
OC(=O)c1csc(n1)Br
Complexity:
132
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB61405
ChemicalName: 2-Bromo-4-trifluoromethoxythioanisole
CasNumber: 951884-71-2
MolecularFormula: C8H6BrF3OS
MolecularWeight: 287.0968
MdlNumber: MFCD09801038
Smiles: CSc1ccc(cc1Br)OC(F)(F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4.3
CatalogNumber:
AB61405
ChemicalName:
2-Bromo-4-trifluoromethoxythioanisole
CasNumber:
951884-71-2
MolecularFormula:
C8H6BrF3OS
MolecularWeight:
287.0968
MdlNumber:
MFCD09801038
Smiles:
CSc1ccc(cc1Br)OC(F)(F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4.3
CatalogNumber: AB61406
ChemicalName: 2-Bromo-5-(methylsulfonyl)pyridine
CasNumber: 343262-51-1
MolecularFormula: C6H6BrNO2S
MolecularWeight: 236.0863
MdlNumber: MFCD04974509
Smiles: Brc1ccc(cn1)S(=O)(=O)C
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB61406
ChemicalName:
2-Bromo-5-(methylsulfonyl)pyridine
CasNumber:
343262-51-1
MolecularFormula:
C6H6BrNO2S
MolecularWeight:
236.0863
MdlNumber:
MFCD04974509
Smiles:
Brc1ccc(cn1)S(=O)(=O)C
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB61407
ChemicalName: 2-Bromo-5-(trifluoromethoxy)aniline
CasNumber: 887267-47-2
MolecularFormula: C7H5BrF3NO
MolecularWeight: 256.0199
MdlNumber: MFCD08458013
Smiles: Brc1ccc(cc1N)OC(F)(F)F
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB61407
ChemicalName:
2-Bromo-5-(trifluoromethoxy)aniline
CasNumber:
887267-47-2
MolecularFormula:
C7H5BrF3NO
MolecularWeight:
256.0199
MdlNumber:
MFCD08458013
Smiles:
Brc1ccc(cc1N)OC(F)(F)F
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1