AB65461
1877-73-2 | 3-Nitrophenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65461
ChemicalName
3-Nitrophenylacetic acid
CasNumber
1877-73-2
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00007278
Smiles
OC(=O)Cc1cccc(c1)[N+](=O)[O-]
NscNumber
93911
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB65461
ChemicalName: 3-Nitrophenylacetic acid
CasNumber: 1877-73-2
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00007278
Smiles: OC(=O)Cc1cccc(c1)[N+](=O)[O-]
NscNumber: 93911
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB65461
ChemicalName:
3-Nitrophenylacetic acid
CasNumber:
1877-73-2
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00007278
Smiles:
OC(=O)Cc1cccc(c1)[N+](=O)[O-]
NscNumber:
93911
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1)CS(=O)(=O)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc(c1)CS(=O)(=O)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1c(=O)[nH][nH]c2=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1c(=O)[nH][nH]c2=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65464
ChemicalName: 3-Nitrophthalic acid
CasNumber: 603-11-2
MolecularFormula: C8H5NO6
MolecularWeight: 211.1284
MdlNumber: MFCD00007138
Smiles: OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NscNumber: 3120
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB65464
ChemicalName:
3-Nitrophthalic acid
CasNumber:
603-11-2
MolecularFormula:
C8H5NO6
MolecularWeight:
211.1284
MdlNumber:
MFCD00007138
Smiles:
OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NscNumber:
3120
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7