AB48052
84547-62-6 | (1-Methyl-1h-pyrazol-3-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AB48052
ChemicalName
(1-Methyl-1h-pyrazol-3-yl)methanol
CasNumber
84547-62-6
MolecularFormula
C5H8N2O
MolecularWeight
112.1298
MdlNumber
MFCD08690274
Smiles
Cn1ccc(n1)CO
Complexity
76.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.6
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CatalogNumber: AB48052
ChemicalName: (1-Methyl-1h-pyrazol-3-yl)methanol
CasNumber: 84547-62-6
MolecularFormula: C5H8N2O
MolecularWeight: 112.1298
MdlNumber: MFCD08690274
Smiles: Cn1ccc(n1)CO
Complexity: 76.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.6
CatalogNumber:
AB48052
ChemicalName:
(1-Methyl-1h-pyrazol-3-yl)methanol
CasNumber:
84547-62-6
MolecularFormula:
C5H8N2O
MolecularWeight:
112.1298
MdlNumber:
MFCD08690274
Smiles:
Cn1ccc(n1)CO
Complexity:
76.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cncc(c1)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cncc(c1)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48054
ChemicalName: 2-Chloro-3-fluorophenol
CasNumber: 863870-86-4
MolecularFormula: C6H4ClFO
MolecularWeight: 146.5468
MdlNumber: MFCD08166413
Smiles: Clc1c(O)cccc1F
Complexity: 99.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AB48054
ChemicalName:
2-Chloro-3-fluorophenol
CasNumber:
863870-86-4
MolecularFormula:
C6H4ClFO
MolecularWeight:
146.5468
MdlNumber:
MFCD08166413
Smiles:
Clc1c(O)cccc1F
Complexity:
99.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AB48055
ChemicalName: 3-Amino-4-chlorophenylboronic acid
CasNumber: 850689-36-0
MolecularFormula: C6H7BClNO2
MolecularWeight: 171.3893
MdlNumber: MFCD03095254
Smiles: OB(c1ccc(c(c1)N)Cl)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB48055
ChemicalName:
3-Amino-4-chlorophenylboronic acid
CasNumber:
850689-36-0
MolecularFormula:
C6H7BClNO2
MolecularWeight:
171.3893
MdlNumber:
MFCD03095254
Smiles:
OB(c1ccc(c(c1)N)Cl)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__