AC80853
71056-94-5 | 1-Methyl-5-nitro-1H-indole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC80853
ChemicalName
1-Methyl-5-nitro-1H-indole-2-carboxylic acid
CasNumber
71056-94-5
MolecularFormula
C10H8N2O4
MolecularWeight
220.1815
MdlNumber
MFCD00219780
Smiles
OC(=O)c1cc2c(n1C)ccc(c2)[N+](=O)[O-]
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AC80853
ChemicalName: 1-Methyl-5-nitro-1H-indole-2-carboxylic acid
CasNumber: 71056-94-5
MolecularFormula: C10H8N2O4
MolecularWeight: 220.1815
MdlNumber: MFCD00219780
Smiles: OC(=O)c1cc2c(n1C)ccc(c2)[N+](=O)[O-]
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AC80853
ChemicalName:
1-Methyl-5-nitro-1H-indole-2-carboxylic acid
CasNumber:
71056-94-5
MolecularFormula:
C10H8N2O4
MolecularWeight:
220.1815
MdlNumber:
MFCD00219780
Smiles:
OC(=O)c1cc2c(n1C)ccc(c2)[N+](=O)[O-]
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1cc2c(n1C)ccc(c2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
CCOC(=O)c1cc2c(n1C)ccc(c2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(NC(=O)C(CCP(=O)(O)C)N)C)NC(C(=O)[O-])C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(NC(=O)C(CCP(=O)(O)C)N)C)NC(C(=O)[O-])C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1N=C(O[C@@H]1c1ccc(cc1)I)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1N=C(O[C@@H]1c1ccc(cc1)I)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__