AC17438
869782-97-8 | 6-Trifluoromethoxy-3-indazolecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC17438
ChemicalName
6-Trifluoromethoxy-3-indazolecarboxylic acid
CasNumber
869782-97-8
MolecularFormula
C9H5F3N2O3
MolecularWeight
246.1428
MdlNumber
MFCD06739136
Smiles
OC(=O)c1n[nH]c2c1ccc(c2)OC(F)(F)F
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AC17438
ChemicalName: 6-Trifluoromethoxy-3-indazolecarboxylic acid
CasNumber: 869782-97-8
MolecularFormula: C9H5F3N2O3
MolecularWeight: 246.1428
MdlNumber: MFCD06739136
Smiles: OC(=O)c1n[nH]c2c1ccc(c2)OC(F)(F)F
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AC17438
ChemicalName:
6-Trifluoromethoxy-3-indazolecarboxylic acid
CasNumber:
869782-97-8
MolecularFormula:
C9H5F3N2O3
MolecularWeight:
246.1428
MdlNumber:
MFCD06739136
Smiles:
OC(=O)c1n[nH]c2c1ccc(c2)OC(F)(F)F
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC=C(c1csc(n1)NC(=O)OC(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC=C(c1csc(n1)NC(=O)OC(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC=C(C)Cc2c(C(=O)C1)c(C)co2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC=C(C)Cc2c(C(=O)C1)c(C)co2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC17446
ChemicalName: 5-Bromo-3,4-dihydroquinolin-2(1H)-one
CasNumber: 880094-83-7
MolecularFormula: C9H8BrNO
MolecularWeight: 226.0699
MdlNumber: MFCD11036287
Smiles: Brc1cccc2c1CCC(=O)N2
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AC17446
ChemicalName:
5-Bromo-3,4-dihydroquinolin-2(1H)-one
CasNumber:
880094-83-7
MolecularFormula:
C9H8BrNO
MolecularWeight:
226.0699
MdlNumber:
MFCD11036287
Smiles:
Brc1cccc2c1CCC(=O)N2
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8