AB69043
7311-63-9 | 5-Bromothiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69043
ChemicalName
5-Bromothiophene-2-carboxylic acid
CasNumber
7311-63-9
MolecularFormula
C5H3BrO2S
MolecularWeight
207.0451
MdlNumber
MFCD00079725
Smiles
OC(=O)c1ccc(s1)Br
NscNumber
408675
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB69043
ChemicalName: 5-Bromothiophene-2-carboxylic acid
CasNumber: 7311-63-9
MolecularFormula: C5H3BrO2S
MolecularWeight: 207.0451
MdlNumber: MFCD00079725
Smiles: OC(=O)c1ccc(s1)Br
NscNumber: 408675
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB69043
ChemicalName:
5-Bromothiophene-2-carboxylic acid
CasNumber:
7311-63-9
MolecularFormula:
C5H3BrO2S
MolecularWeight:
207.0451
MdlNumber:
MFCD00079725
Smiles:
OC(=O)c1ccc(s1)Br
NscNumber:
408675
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB69044
ChemicalName: 5-Bromothiophene-2-sulfonamide
CasNumber: 53595-65-6
MolecularFormula: C4H4BrNO2S2
MolecularWeight: 242.11406000000002
MdlNumber: MFCD00496793
Smiles: Brc1ccc(s1)S(=O)(=O)N
NscNumber: __
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB69044
ChemicalName:
5-Bromothiophene-2-sulfonamide
CasNumber:
53595-65-6
MolecularFormula:
C4H4BrNO2S2
MolecularWeight:
242.11406000000002
MdlNumber:
MFCD00496793
Smiles:
Brc1ccc(s1)S(=O)(=O)N
NscNumber:
__
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(s1)S(=O)(=O)Cl
NscNumber: __
Complexity: 210
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(s1)S(=O)(=O)Cl
NscNumber:
__
Complexity:
210
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AB69046
ChemicalName: 5-Bromouracil
CasNumber: 51-20-7
MolecularFormula: C4H3BrN2O2
MolecularWeight: 190.9828
MdlNumber: MFCD00006017
Smiles: Brc1c[nH]c(=O)[nH]c1=O
NscNumber: 19940
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AB69046
ChemicalName:
5-Bromouracil
CasNumber:
51-20-7
MolecularFormula:
C4H3BrN2O2
MolecularWeight:
190.9828
MdlNumber:
MFCD00006017
Smiles:
Brc1c[nH]c(=O)[nH]c1=O
NscNumber:
19940
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.2