AG19854
53484-17-6 | 1-Methylbenzodiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG19854
ChemicalName
1-Methylbenzodiazole-5-carboxylic acid
CasNumber
53484-17-6
MolecularFormula
C9H8N2O2
MolecularWeight
176.172
MdlNumber
MFCD06809665
Smiles
OC(=O)c1ccc2c(c1)ncn2C
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AG19854
ChemicalName: 1-Methylbenzodiazole-5-carboxylic acid
CasNumber: 53484-17-6
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD06809665
Smiles: OC(=O)c1ccc2c(c1)ncn2C
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AG19854
ChemicalName:
1-Methylbenzodiazole-5-carboxylic acid
CasNumber:
53484-17-6
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD06809665
Smiles:
OC(=O)c1ccc2c(c1)ncn2C
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c(=O)cco2
Complexity: 225
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c(=O)cco2
Complexity:
225
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)c1cc(C)c(cc1O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)c1cc(C)c(cc1O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG19857
ChemicalName: 2-Bromo-1-chloro-4-(trifluoromethoxy)benzene
CasNumber: 468075-00-5
MolecularFormula: C7H3BrClF3O
MolecularWeight: 275.4503
MdlNumber: MFCD06797751
Smiles: Clc1ccc(cc1Br)OC(F)(F)F
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AG19857
ChemicalName:
2-Bromo-1-chloro-4-(trifluoromethoxy)benzene
CasNumber:
468075-00-5
MolecularFormula:
C7H3BrClF3O
MolecularWeight:
275.4503
MdlNumber:
MFCD06797751
Smiles:
Clc1ccc(cc1Br)OC(F)(F)F
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.4