AB50426
107254-86-4 | 5-Nitro-2-((3-phenylpropyl)amino)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50426
ChemicalName
5-Nitro-2-((3-phenylpropyl)amino)benzoic acid
CasNumber
107254-86-4
MolecularFormula
C16H16N2O4
MolecularWeight
300.3092
MdlNumber
MFCD00153851
Smiles
OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
4.1
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CatalogNumber: AB50426
ChemicalName: 5-Nitro-2-((3-phenylpropyl)amino)benzoic acid
CasNumber: 107254-86-4
MolecularFormula: C16H16N2O4
MolecularWeight: 300.3092
MdlNumber: MFCD00153851
Smiles: OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 4.1
CatalogNumber:
AB50426
ChemicalName:
5-Nitro-2-((3-phenylpropyl)amino)benzoic acid
CasNumber:
107254-86-4
MolecularFormula:
C16H16N2O4
MolecularWeight:
300.3092
MdlNumber:
MFCD00153851
Smiles:
OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
4.1
CatalogNumber: AB50427
ChemicalName: 1-bromo-4-cyclopropylbenzene
CasNumber: 1124-14-7
MolecularFormula: C9H9Br
MolecularWeight: 197.0718
MdlNumber: MFCD00101828
Smiles: Brc1ccc(cc1)C1CC1
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AB50427
ChemicalName:
1-bromo-4-cyclopropylbenzene
CasNumber:
1124-14-7
MolecularFormula:
C9H9Br
MolecularWeight:
197.0718
MdlNumber:
MFCD00101828
Smiles:
Brc1ccc(cc1)C1CC1
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](C(=O)OC)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](C(=O)OC)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C[Si](C=C)(C=C)C=C
Complexity: 107
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C[Si](C=C)(C=C)C=C
Complexity:
107
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__