AB53073
1176754-31-6 | 1-Methyl-1H-indazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB53073
ChemicalName
1-Methyl-1H-indazole-5-carboxylic acid
CasNumber
1176754-31-6
MolecularFormula
C9H8N2O2
MolecularWeight
176.172
MdlNumber
MFCD11901714
Smiles
OC(=O)c1ccc2c(c1)cnn2C
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB53073
ChemicalName: 1-Methyl-1H-indazole-5-carboxylic acid
CasNumber: 1176754-31-6
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD11901714
Smiles: OC(=O)c1ccc2c(c1)cnn2C
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB53073
ChemicalName:
1-Methyl-1H-indazole-5-carboxylic acid
CasNumber:
1176754-31-6
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD11901714
Smiles:
OC(=O)c1ccc2c(c1)cnn2C
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC1CCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53075
ChemicalName: 2-Methylindazole-5-boronic acid pinacol ester
CasNumber: 1189746-27-7
MolecularFormula: C14H19BN2O2
MolecularWeight: 258.1239
MdlNumber: MFCD11109436
Smiles: Cn1nc2c(c1)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB53075
ChemicalName:
2-Methylindazole-5-boronic acid pinacol ester
CasNumber:
1189746-27-7
MolecularFormula:
C14H19BN2O2
MolecularWeight:
258.1239
MdlNumber:
MFCD11109436
Smiles:
Cn1nc2c(c1)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc2c(c1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity: 345
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nc2c(c1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
345
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__