AE97784
151-00-8 | Isobutyraldehyde oxime
Manufacturer: A2B Chem
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CatalogNumber
AE97784
ChemicalName
Isobutyraldehyde oxime
CasNumber
151-00-8
MolecularFormula
C4H9NO
MolecularWeight
87.12035999999999
MdlNumber
MFCD00013940
Smiles
CC(C=NO)C
Complexity
49.5
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AE97784
ChemicalName: Isobutyraldehyde oxime
CasNumber: 151-00-8
MolecularFormula: C4H9NO
MolecularWeight: 87.12035999999999
MdlNumber: MFCD00013940
Smiles: CC(C=NO)C
Complexity: 49.5
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AE97784
ChemicalName:
Isobutyraldehyde oxime
CasNumber:
151-00-8
MolecularFormula:
C4H9NO
MolecularWeight:
87.12035999999999
MdlNumber:
MFCD00013940
Smiles:
CC(C=NO)C
Complexity:
49.5
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AE97785
ChemicalName: N,N-Dimethyl-4-nitrobenzenesulfonamide
CasNumber: 17459-03-9
MolecularFormula: C8H10N2O4S
MolecularWeight: 230.241
MdlNumber: MFCD00277215
Smiles: CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity: 320
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AE97785
ChemicalName:
N,N-Dimethyl-4-nitrobenzenesulfonamide
CasNumber:
17459-03-9
MolecularFormula:
C8H10N2O4S
MolecularWeight:
230.241
MdlNumber:
MFCD00277215
Smiles:
CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Complexity:
320
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AE97786
ChemicalName: 2-Methoxy-5-methylnicotinonitrile
CasNumber: 149379-73-7
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD13563068
Smiles: N#Cc1cc(C)cnc1OC
Complexity: 172
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AE97786
ChemicalName:
2-Methoxy-5-methylnicotinonitrile
CasNumber:
149379-73-7
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD13563068
Smiles:
N#Cc1cc(C)cnc1OC
Complexity:
172
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AE97787
ChemicalName: Methyl 4-(ethylcarbamoyl)benzoate
CasNumber: 171895-49-1
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD09418612
Smiles: CCNC(=O)c1ccc(cc1)C(=O)OC
Complexity: 232
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AE97787
ChemicalName:
Methyl 4-(ethylcarbamoyl)benzoate
CasNumber:
171895-49-1
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD09418612
Smiles:
CCNC(=O)c1ccc(cc1)C(=O)OC
Complexity:
232
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.9