AD03243
667463-85-6 | BIO-Acetoxime
Manufacturer: A2B Chem
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CatalogNumber
AD03243
ChemicalName
BIO-Acetoxime
CasNumber
667463-85-6
MolecularFormula
C18H12BrN3O3
MolecularWeight
398.2102
MdlNumber
MFCD09037533
Smiles
CC(=O)O/N=C1/C(=C2/C(=O)Nc3c2ccc(c3)Br)/Nc2c1cccc2
Complexity
608
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
3.8
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CatalogNumber: AD03243
ChemicalName: BIO-Acetoxime
CasNumber: 667463-85-6
MolecularFormula: C18H12BrN3O3
MolecularWeight: 398.2102
MdlNumber: MFCD09037533
Smiles: CC(=O)O/N=C1/C(=C2/C(=O)Nc3c2ccc(c3)Br)/Nc2c1cccc2
Complexity: 608
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AD03243
ChemicalName:
BIO-Acetoxime
CasNumber:
667463-85-6
MolecularFormula:
C18H12BrN3O3
MolecularWeight:
398.2102
MdlNumber:
MFCD09037533
Smiles:
CC(=O)O/N=C1/C(=C2/C(=O)Nc3c2ccc(c3)Br)/Nc2c1cccc2
Complexity:
608
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: __
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Smiles: COc1cccc(c1OCc1c(F)cccc1Cl)C=O
Complexity: __
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Smiles:
COc1cccc(c1OCc1c(F)cccc1Cl)C=O
Complexity:
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Smiles: O=Cc1cc(Cl)ccc1OCc1ccc(cc1)Br
Complexity: __
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Smiles:
O=Cc1cc(Cl)ccc1OCc1ccc(cc1)Br
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)C(Oc1cc(C)c(c(c1)C)Cl)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(Oc1cc(C)c(c(c1)C)Cl)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__