AD80410
103440-95-5 | 4-Ethyl-3-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD80410
ChemicalName
4-Ethyl-3-nitrobenzoic acid
CasNumber
103440-95-5
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD08460111
Smiles
CCc1ccc(cc1[N+](=O)[O-])C(=O)O
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AD80410
ChemicalName: 4-Ethyl-3-nitrobenzoic acid
CasNumber: 103440-95-5
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD08460111
Smiles: CCc1ccc(cc1[N+](=O)[O-])C(=O)O
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AD80410
ChemicalName:
4-Ethyl-3-nitrobenzoic acid
CasNumber:
103440-95-5
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD08460111
Smiles:
CCc1ccc(cc1[N+](=O)[O-])C(=O)O
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1O)I)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1O)I)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O/N=C(/c1csc(n1)N)C(=O)Sc1nc2c(s1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O/N=C(/c1csc(n1)N)C(=O)Sc1nc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ncc[nH]1.COc1ccc2c(c1)c(OC(C)C)c(s2)C(=O)Nc1nnn[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ncc[nH]1.COc1ccc2c(c1)c(OC(C)C)c(s2)C(=O)Nc1nnn[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__