AG32914
4378-61-4 | Vat orange 3
Manufacturer: A2B Chem
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CatalogNumber
AG32914
ChemicalName
Vat orange 3
CasNumber
4378-61-4
MolecularFormula
C22H8Br2O2
MolecularWeight
464.1057
MdlNumber
MFCD00059495
Smiles
Brc1cc2c3-c4c(c(=O)c5c3c1ccc5)cc(c1c4c(c2=O)ccc1)Br
Complexity
607
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
2
Xlogp3
6.5
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CatalogNumber: AG32914
ChemicalName: Vat orange 3
CasNumber: 4378-61-4
MolecularFormula: C22H8Br2O2
MolecularWeight: 464.1057
MdlNumber: MFCD00059495
Smiles: Brc1cc2c3-c4c(c(=O)c5c3c1ccc5)cc(c1c4c(c2=O)ccc1)Br
Complexity: 607
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 2
Xlogp3: 6.5
CatalogNumber:
AG32914
ChemicalName:
Vat orange 3
CasNumber:
4378-61-4
MolecularFormula:
C22H8Br2O2
MolecularWeight:
464.1057
MdlNumber:
MFCD00059495
Smiles:
Brc1cc2c3-c4c(c(=O)c5c3c1ccc5)cc(c1c4c(c2=O)ccc1)Br
Complexity:
607
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
2
Xlogp3:
6.5
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Smiles: CCCC1OCC=CCO1
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HydrogenBondAcceptorCount: __
Xlogp3: __
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Smiles:
CCCC1OCC=CCO1
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Smiles: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)N=[N+]=[N-])O)O
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Smiles:
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)N=[N+]=[N-])O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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CasNumber:
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MolecularWeight:
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MdlNumber:
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Smiles:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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