AB48500
93416-51-4 | 2,4,6-Trichloropyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48500
ChemicalName
2,4,6-Trichloropyrimidine-5-carboxylic acid
CasNumber
93416-51-4
MolecularFormula
C5HCl3N2O2
MolecularWeight
227.4326
MdlNumber
MFCD09909820
Smiles
OC(=O)c1c(Cl)nc(nc1Cl)Cl
Complexity
180
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB48500
ChemicalName: 2,4,6-Trichloropyrimidine-5-carboxylic acid
CasNumber: 93416-51-4
MolecularFormula: C5HCl3N2O2
MolecularWeight: 227.4326
MdlNumber: MFCD09909820
Smiles: OC(=O)c1c(Cl)nc(nc1Cl)Cl
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB48500
ChemicalName:
2,4,6-Trichloropyrimidine-5-carboxylic acid
CasNumber:
93416-51-4
MolecularFormula:
C5HCl3N2O2
MolecularWeight:
227.4326
MdlNumber:
MFCD09909820
Smiles:
OC(=O)c1c(Cl)nc(nc1Cl)Cl
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB48501
ChemicalName: 2,5-Dibromothiophene-3-carboxylic acid
CasNumber: 7311-70-8
MolecularFormula: C5H2Br2O2S
MolecularWeight: 285.9412
MdlNumber: MFCD08445656
Smiles: Brc1sc(c(c1)C(=O)O)Br
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AB48501
ChemicalName:
2,5-Dibromothiophene-3-carboxylic acid
CasNumber:
7311-70-8
MolecularFormula:
C5H2Br2O2S
MolecularWeight:
285.9412
MdlNumber:
MFCD08445656
Smiles:
Brc1sc(c(c1)C(=O)O)Br
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(Cl)c2c(c1)[nH]cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(Cl)c2c(c1)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cnc[nH]c1=O
Complexity: 173
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cnc[nH]c1=O
Complexity:
173
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4