AG70634
6313-17-3 | 3-Iodo-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG70634
ChemicalName
3-Iodo-5-nitrobenzoic acid
CasNumber
6313-17-3
MolecularFormula
C7H4INO4
MolecularWeight
293.0154
MdlNumber
MFCD00068827
Smiles
Ic1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NscNumber
40643
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AG70634
ChemicalName: 3-Iodo-5-nitrobenzoic acid
CasNumber: 6313-17-3
MolecularFormula: C7H4INO4
MolecularWeight: 293.0154
MdlNumber: MFCD00068827
Smiles: Ic1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NscNumber: 40643
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AG70634
ChemicalName:
3-Iodo-5-nitrobenzoic acid
CasNumber:
6313-17-3
MolecularFormula:
C7H4INO4
MolecularWeight:
293.0154
MdlNumber:
MFCD00068827
Smiles:
Ic1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NscNumber:
40643
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
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Smiles: [O-][n+]1ccc(cc1C#N)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
[O-][n+]1ccc(cc1C#N)Br
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: C1=CC2=[N](C=C1)[Ru+2]13([N]4=C2C=CC=C4)([N]2=C(C4=[N]3C=CC=C4)C=CC=C2)[N]2=C(C3=[N]1C=CC=C3)C=CC=C2.[F-][P+5]([F-])([F-])([F-])([F-])[F-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C1=CC2=[N](C=C1)[Ru+2]13([N]4=C2C=CC=C4)([N]2=C(C4=[N]3C=CC=C4)C=CC=C2)[N]2=C(C3=[N]1C=CC=C3)C=CC=C2.[F-][P+5]([F-])([F-])([F-])([F-])[F-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(nc(c1)C(=O)O)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(nc(c1)C(=O)O)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__