AB63065
868755-54-8 | 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB63065
ChemicalName
3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CasNumber
868755-54-8
MolecularFormula
C9H7N3O
MolecularWeight
173.1714
MdlNumber
MFCD08271896
Smiles
O=Cc1cccc(c1)n1cncn1
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB63065
ChemicalName: 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CasNumber: 868755-54-8
MolecularFormula: C9H7N3O
MolecularWeight: 173.1714
MdlNumber: MFCD08271896
Smiles: O=Cc1cccc(c1)n1cncn1
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB63065
ChemicalName:
3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CasNumber:
868755-54-8
MolecularFormula:
C9H7N3O
MolecularWeight:
173.1714
MdlNumber:
MFCD08271896
Smiles:
O=Cc1cccc(c1)n1cncn1
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(=O)O)Cn1cncn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)O)Cn1cncn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCN1C(=O)Cc2c(C1=O)cccc2
Complexity: 352
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCN1C(=O)Cc2c(C1=O)cccc2
Complexity:
352
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCN1C(=O)c2c(C1=O)cccc2
Complexity: 315
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCN1C(=O)c2c(C1=O)cccc2
Complexity:
315
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1