AB50211
3209-71-0 | Isoxazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50211
ChemicalName
Isoxazole-3-carboxylic acid
CasNumber
3209-71-0
MolecularFormula
C4H3NO3
MolecularWeight
113.0715
MdlNumber
MFCD06738796
Smiles
OC(=O)c1ccon1
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB50211
ChemicalName: Isoxazole-3-carboxylic acid
CasNumber: 3209-71-0
MolecularFormula: C4H3NO3
MolecularWeight: 113.0715
MdlNumber: MFCD06738796
Smiles: OC(=O)c1ccon1
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB50211
ChemicalName:
Isoxazole-3-carboxylic acid
CasNumber:
3209-71-0
MolecularFormula:
C4H3NO3
MolecularWeight:
113.0715
MdlNumber:
MFCD06738796
Smiles:
OC(=O)c1ccon1
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N
Complexity: 384
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N
Complexity:
384
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-2.2
CatalogNumber: AB50213
ChemicalName: 2,4-Dichloro-1-(trifluoromethyl)benzene
CasNumber: 320-60-5
MolecularFormula: C7H3Cl2F3
MolecularWeight: 214.9999
MdlNumber: MFCD00000582
Smiles: Clc1ccc(c(c1)Cl)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB50213
ChemicalName:
2,4-Dichloro-1-(trifluoromethyl)benzene
CasNumber:
320-60-5
MolecularFormula:
C7H3Cl2F3
MolecularWeight:
214.9999
MdlNumber:
MFCD00000582
Smiles:
Clc1ccc(c(c1)Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50214
ChemicalName: 6-Bromo-1h-indene
CasNumber: 33065-61-1
MolecularFormula: C9H7Br
MolecularWeight: 195.0559
MdlNumber: MFCD08234616
Smiles: Brc1ccc2c(c1)CC=C2
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
AB50214
ChemicalName:
6-Bromo-1h-indene
CasNumber:
33065-61-1
MolecularFormula:
C9H7Br
MolecularWeight:
195.0559
MdlNumber:
MFCD08234616
Smiles:
Brc1ccc2c(c1)CC=C2
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6