AB49361
610-29-7 | Nitroterephthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49361
ChemicalName
Nitroterephthalic acid
CasNumber
610-29-7
MolecularFormula
C8H5NO6
MolecularWeight
211.1284
MdlNumber
MFCD00007141
Smiles
[O-][N+](=O)c1cc(ccc1C(=O)O)C(=O)O
NscNumber
75848
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB49361
ChemicalName: Nitroterephthalic acid
CasNumber: 610-29-7
MolecularFormula: C8H5NO6
MolecularWeight: 211.1284
MdlNumber: MFCD00007141
Smiles: [O-][N+](=O)c1cc(ccc1C(=O)O)C(=O)O
NscNumber: 75848
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB49361
ChemicalName:
Nitroterephthalic acid
CasNumber:
610-29-7
MolecularFormula:
C8H5NO6
MolecularWeight:
211.1284
MdlNumber:
MFCD00007141
Smiles:
[O-][N+](=O)c1cc(ccc1C(=O)O)C(=O)O
NscNumber:
75848
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
NscNumber: __
Complexity: 296
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
NscNumber:
__
Complexity:
296
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCl)Br
NscNumber: __
Complexity: 22.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCl)Br
NscNumber:
__
Complexity:
22.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)Cc1cccc(c1)C(=O)O)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)Cc1cccc(c1)C(=O)O)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__