AB63124
550364-01-7 | 3-(2H-1,2,3-Triazol-4-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB63124
ChemicalName
3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CasNumber
550364-01-7
MolecularFormula
C9H6N4
MolecularWeight
170.1707
MdlNumber
MFCD23701622
Smiles
N#Cc1cccc(c1)c1n[nH]nc1
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AB63124
ChemicalName: 3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CasNumber: 550364-01-7
MolecularFormula: C9H6N4
MolecularWeight: 170.1707
MdlNumber: MFCD23701622
Smiles: N#Cc1cccc(c1)c1n[nH]nc1
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB63124
ChemicalName:
3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CasNumber:
550364-01-7
MolecularFormula:
C9H6N4
MolecularWeight:
170.1707
MdlNumber:
MFCD23701622
Smiles:
N#Cc1cccc(c1)c1n[nH]nc1
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AB63125
ChemicalName: 3-(2-Hydroxyethoxy)benzaldehyde
CasNumber: 60345-97-3
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00191448
Smiles: OCCOc1cccc(c1)C=O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB63125
ChemicalName:
3-(2-Hydroxyethoxy)benzaldehyde
CasNumber:
60345-97-3
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00191448
Smiles:
OCCOc1cccc(c1)C=O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.7
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Smiles: OC(=O)C(C(F)(F)F)CC1Cc2c(N1)cccc2
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Smiles:
OC(=O)C(C(F)(F)F)CC1Cc2c(N1)cccc2
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Smiles: ICC(=O)NC1CC(N(C1(C)C)[O])(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ICC(=O)NC1CC(N(C1(C)C)[O])(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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