AB24685
2450-27-3 | 4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB24685
ChemicalName
4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde
CasNumber
2450-27-3
MolecularFormula
C15H13NO5
MolecularWeight
287.2674
MdlNumber
MFCD22055797
Smiles
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C=O
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2.6
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CatalogNumber: AB24685
ChemicalName: 4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde
CasNumber: 2450-27-3
MolecularFormula: C15H13NO5
MolecularWeight: 287.2674
MdlNumber: MFCD22055797
Smiles: COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C=O
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AB24685
ChemicalName:
4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde
CasNumber:
2450-27-3
MolecularFormula:
C15H13NO5
MolecularWeight:
287.2674
MdlNumber:
MFCD22055797
Smiles:
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C=O
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: AB24687
ChemicalName: Methyl pyrimidine-4-carboxylate
CasNumber: 2450-08-0
MolecularFormula: C6H6N2O2
MolecularWeight: 138.124
MdlNumber: MFCD00234184
Smiles: COC(=O)c1ccncn1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB24687
ChemicalName:
Methyl pyrimidine-4-carboxylate
CasNumber:
2450-08-0
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.124
MdlNumber:
MFCD00234184
Smiles:
COC(=O)c1ccncn1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
-0.3
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Smiles: Clc1cc(N)n2c(n1)ccn2
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Smiles:
Clc1cc(N)n2c(n1)ccn2
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Smiles: COC(=O)CNC(=O)c1cccnc1Cl
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Smiles:
COC(=O)CNC(=O)c1cccnc1Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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