AB22347
23218-93-1 | Methyl 3-amino-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB22347
ChemicalName
Methyl 3-amino-5-nitrobenzoate
CasNumber
23218-93-1
MolecularFormula
C8H8N2O4
MolecularWeight
196.1601
MdlNumber
MFCD00461253
Smiles
COC(=O)c1cc(N)cc(c1)[N+](=O)[O-]
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB22347
ChemicalName: Methyl 3-amino-5-nitrobenzoate
CasNumber: 23218-93-1
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD00461253
Smiles: COC(=O)c1cc(N)cc(c1)[N+](=O)[O-]
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB22347
ChemicalName:
Methyl 3-amino-5-nitrobenzoate
CasNumber:
23218-93-1
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD00461253
Smiles:
COC(=O)c1cc(N)cc(c1)[N+](=O)[O-]
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)N.[O-]S(=O)(=O)N.[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)N.[O-]S(=O)(=O)N.[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(Cl)c(c(c1Cl)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(Cl)c(c(c1Cl)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB22359
ChemicalName: Boc-4-amino-2-chlorobenzoic acid
CasNumber: 232275-73-9
MolecularFormula: C12H14ClNO4
MolecularWeight: 271.6969
MdlNumber: MFCD02682164
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB22359
ChemicalName:
Boc-4-amino-2-chlorobenzoic acid
CasNumber:
232275-73-9
MolecularFormula:
C12H14ClNO4
MolecularWeight:
271.6969
MdlNumber:
MFCD02682164
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__