AB01972
179174-23-3 | 3-[(4-Nitrobenzene)sulfonamido]propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB01972
ChemicalName
3-[(4-Nitrobenzene)sulfonamido]propanoic acid
CasNumber
179174-23-3
MolecularFormula
C9H10N2O6S
MolecularWeight
274.2505
MdlNumber
MFCD00572376
Smiles
OC(=O)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber
626994
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.2
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CatalogNumber: AB01972
ChemicalName: 3-[(4-Nitrobenzene)sulfonamido]propanoic acid
CasNumber: 179174-23-3
MolecularFormula: C9H10N2O6S
MolecularWeight: 274.2505
MdlNumber: MFCD00572376
Smiles: OC(=O)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber: 626994
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.2
CatalogNumber:
AB01972
ChemicalName:
3-[(4-Nitrobenzene)sulfonamido]propanoic acid
CasNumber:
179174-23-3
MolecularFormula:
C9H10N2O6S
MolecularWeight:
274.2505
MdlNumber:
MFCD00572376
Smiles:
OC(=O)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber:
626994
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)N(c1ccccc1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
Oc1ccc(cc1)N(c1ccccc1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCN(CCN)CCNC(=O)OC(C)(C)C
NscNumber: __
Complexity: 210
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCN(CCN)CCNC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
210
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__