AG66004
58419-69-5 | 1-[4-(Bromomethyl)phenyl]-1h-1,2,4-triazole
Manufacturer: A2B Chem
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CatalogNumber
AG66004
ChemicalName
1-[4-(Bromomethyl)phenyl]-1h-1,2,4-triazole
CasNumber
58419-69-5
MolecularFormula
C9H8BrN3
MolecularWeight
238.0839
MdlNumber
MFCD02681943
Smiles
BrCc1ccc(cc1)n1ncnc1
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AG66004
ChemicalName: 1-[4-(Bromomethyl)phenyl]-1h-1,2,4-triazole
CasNumber: 58419-69-5
MolecularFormula: C9H8BrN3
MolecularWeight: 238.0839
MdlNumber: MFCD02681943
Smiles: BrCc1ccc(cc1)n1ncnc1
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG66004
ChemicalName:
1-[4-(Bromomethyl)phenyl]-1h-1,2,4-triazole
CasNumber:
58419-69-5
MolecularFormula:
C9H8BrN3
MolecularWeight:
238.0839
MdlNumber:
MFCD02681943
Smiles:
BrCc1ccc(cc1)n1ncnc1
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOc1c(OC)cccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOc1c(OC)cccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC(Sc1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CC(Sc1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG66008
ChemicalName: 2,6-Dimethoxypyrimidine-4-carboxylic acid
CasNumber: 59864-30-1
MolecularFormula: C7H8N2O4
MolecularWeight: 184.1494
MdlNumber: MFCD01568105
Smiles: COc1nc(OC)nc(c1)C(=O)O
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AG66008
ChemicalName:
2,6-Dimethoxypyrimidine-4-carboxylic acid
CasNumber:
59864-30-1
MolecularFormula:
C7H8N2O4
MolecularWeight:
184.1494
MdlNumber:
MFCD01568105
Smiles:
COc1nc(OC)nc(c1)C(=O)O
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
0.7