AI44000
1955-46-0 | 5-Nitroisophthalic acid monomethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI44000
ChemicalName
5-Nitroisophthalic acid monomethyl ester
CasNumber
1955-46-0
MolecularFormula
C9H7NO6
MolecularWeight
225.15497999999997
MdlNumber
MFCD00009793
Smiles
COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI44000
ChemicalName: 5-Nitroisophthalic acid monomethyl ester
CasNumber: 1955-46-0
MolecularFormula: C9H7NO6
MolecularWeight: 225.15497999999997
MdlNumber: MFCD00009793
Smiles: COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI44000
ChemicalName:
5-Nitroisophthalic acid monomethyl ester
CasNumber:
1955-46-0
MolecularFormula:
C9H7NO6
MolecularWeight:
225.15497999999997
MdlNumber:
MFCD00009793
Smiles:
COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCNC(=O)Nc1ccc(cc1)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCNC(=O)Nc1ccc(cc1)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)CCCCCNC(=O)N1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
Complexity: __
Covalently-bondedUnitCount: __
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)CCCCCNC(=O)N1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__