AI61177
91405-41-3 | (2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enal
Manufacturer: A2B Chem
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CatalogNumber
AI61177
ChemicalName
(2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enal
CasNumber
91405-41-3
MolecularFormula
C13H15ClO
MolecularWeight
222.7106
MdlNumber
MFCD16312654
Smiles
O=C/C=C(/c1ccc(cc1)C(C)(C)C)Cl
Complexity
242
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
3.9
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CatalogNumber: AI61177
ChemicalName: (2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enal
CasNumber: 91405-41-3
MolecularFormula: C13H15ClO
MolecularWeight: 222.7106
MdlNumber: MFCD16312654
Smiles: O=C/C=C(/c1ccc(cc1)C(C)(C)C)Cl
Complexity: 242
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AI61177
ChemicalName:
(2Z)-3-(4-tert-Butylphenyl)-3-chloroprop-2-enal
CasNumber:
91405-41-3
MolecularFormula:
C13H15ClO
MolecularWeight:
222.7106
MdlNumber:
MFCD16312654
Smiles:
O=C/C=C(/c1ccc(cc1)C(C)(C)C)Cl
Complexity:
242
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
3.9
CatalogNumber: AI61178
ChemicalName: 4-Fluoro-2-[(1E)-(hydroxyimino)methyl]phenol
CasNumber: 91407-40-8
MolecularFormula: C7H6FNO2
MolecularWeight: 155.1264
MdlNumber: MFCD19442128
Smiles: Oc1ccc(cc1/C=N/O)F
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI61178
ChemicalName:
4-Fluoro-2-[(1E)-(hydroxyimino)methyl]phenol
CasNumber:
91407-40-8
MolecularFormula:
C7H6FNO2
MolecularWeight:
155.1264
MdlNumber:
MFCD19442128
Smiles:
Oc1ccc(cc1/C=N/O)F
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
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Smiles: NC(C(C(=O)N)O)CC(C)C.Cl
Complexity: __
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Smiles:
NC(C(C(=O)N)O)CC(C)C.Cl
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Smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C=O
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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