AC73476
704-13-2 | 3-Hydroxy-4-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AC73476
ChemicalName
3-Hydroxy-4-nitrobenzaldehyde
CasNumber
704-13-2
MolecularFormula
C7H5NO4
MolecularWeight
167.1189
MdlNumber
MFCD00007109
Smiles
O=Cc1ccc(c(c1)O)N(=O)=O
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AC73476
ChemicalName: 3-Hydroxy-4-nitrobenzaldehyde
CasNumber: 704-13-2
MolecularFormula: C7H5NO4
MolecularWeight: 167.1189
MdlNumber: MFCD00007109
Smiles: O=Cc1ccc(c(c1)O)N(=O)=O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AC73476
ChemicalName:
3-Hydroxy-4-nitrobenzaldehyde
CasNumber:
704-13-2
MolecularFormula:
C7H5NO4
MolecularWeight:
167.1189
MdlNumber:
MFCD00007109
Smiles:
O=Cc1ccc(c(c1)O)N(=O)=O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AC73479
ChemicalName: 1-Methyl-2-oxopyridine-4-carbonitrile
CasNumber: 70411-83-5
MolecularFormula: C7H6N2O
MolecularWeight: 134.13533999999999
MdlNumber: MFCD27923636
Smiles: N#Cc1ccn(c(=O)c1)C
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AC73479
ChemicalName:
1-Methyl-2-oxopyridine-4-carbonitrile
CasNumber:
70411-83-5
MolecularFormula:
C7H6N2O
MolecularWeight:
134.13533999999999
MdlNumber:
MFCD27923636
Smiles:
N#Cc1ccn(c(=O)c1)C
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)c1cc2c(o1)ccc(c2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)c1cc2c(o1)ccc(c2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)c1cc2c(o1)ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)c1cc2c(o1)ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__