AC57687
713-52-0 | Methyl 3-hydroxy-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC57687
ChemicalName
Methyl 3-hydroxy-4-nitrobenzoate
CasNumber
713-52-0
MolecularFormula
C8H7NO5
MolecularWeight
197.14488
MdlNumber
MFCD00016997
Smiles
COC(=O)c1ccc(c(c1)O)N(=O)=O
NscNumber
163972
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AC57687
ChemicalName: Methyl 3-hydroxy-4-nitrobenzoate
CasNumber: 713-52-0
MolecularFormula: C8H7NO5
MolecularWeight: 197.14488
MdlNumber: MFCD00016997
Smiles: COC(=O)c1ccc(c(c1)O)N(=O)=O
NscNumber: 163972
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AC57687
ChemicalName:
Methyl 3-hydroxy-4-nitrobenzoate
CasNumber:
713-52-0
MolecularFormula:
C8H7NO5
MolecularWeight:
197.14488
MdlNumber:
MFCD00016997
Smiles:
COC(=O)c1ccc(c(c1)O)N(=O)=O
NscNumber:
163972
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc2-c3cccc(c3C(=O)c2c(n1)c1ccccc1)CN1CCOCC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc2-c3cccc(c3C(=O)c2c(n1)c1ccccc1)CN1CCOCC1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClS(=O)(=O)CC(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClS(=O)(=O)CC(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC57697
ChemicalName: 7-Nitro-2H-1,4-benzoxazin-3(4H)-one
CasNumber: 81721-86-0
MolecularFormula: C8H6N2O4
MolecularWeight: 194.14424
MdlNumber: MFCD00090355
Smiles: O=C1COc2c(N1)ccc(c2)[N+](=O)[O-]
NscNumber: __
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AC57697
ChemicalName:
7-Nitro-2H-1,4-benzoxazin-3(4H)-one
CasNumber:
81721-86-0
MolecularFormula:
C8H6N2O4
MolecularWeight:
194.14424
MdlNumber:
MFCD00090355
Smiles:
O=C1COc2c(N1)ccc(c2)[N+](=O)[O-]
NscNumber:
__
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.7