AB23911
23585-49-1 | (1H-Pyrazol-3-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AB23911
ChemicalName
(1H-Pyrazol-3-yl)methanol
CasNumber
23585-49-1
MolecularFormula
C4H6N2O
MolecularWeight
98.1032
MdlNumber
MFCD08436148
Smiles
OCc1cc[nH]n1
Complexity
57.7
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.6
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CatalogNumber: AB23911
ChemicalName: (1H-Pyrazol-3-yl)methanol
CasNumber: 23585-49-1
MolecularFormula: C4H6N2O
MolecularWeight: 98.1032
MdlNumber: MFCD08436148
Smiles: OCc1cc[nH]n1
Complexity: 57.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.6
CatalogNumber:
AB23911
ChemicalName:
(1H-Pyrazol-3-yl)methanol
CasNumber:
23585-49-1
MolecularFormula:
C4H6N2O
MolecularWeight:
98.1032
MdlNumber:
MFCD08436148
Smiles:
OCc1cc[nH]n1
Complexity:
57.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1cncc1C(=O)NN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1cncc1C(=O)NN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB23915
ChemicalName: 5-Phenyl-2-(trifluoromethyl)-3-furoic acid
CasNumber: 23584-85-2
MolecularFormula: C12H7F3O3
MolecularWeight: 256.1774
MdlNumber: MFCD01313502
Smiles: OC(=O)c1cc(oc1C(F)(F)F)c1ccccc1
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB23915
ChemicalName:
5-Phenyl-2-(trifluoromethyl)-3-furoic acid
CasNumber:
23584-85-2
MolecularFormula:
C12H7F3O3
MolecularWeight:
256.1774
MdlNumber:
MFCD01313502
Smiles:
OC(=O)c1cc(oc1C(F)(F)F)c1ccccc1
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H]2OP(=O)(O)OC[C@@H]2O[C@H]1n1c(Br)nc2c1ncnc2N
Complexity: 532
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H]2OP(=O)(O)OC[C@@H]2O[C@H]1n1c(Br)nc2c1ncnc2N
Complexity:
532
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.5