AB49557
586-10-7 | 3-Methoxy-5-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AB49557
ChemicalName
3-Methoxy-5-nitroaniline
CasNumber
586-10-7
MolecularFormula
C7H8N2O3
MolecularWeight
168.15
MdlNumber
MFCD01103799
Smiles
COc1cc(N)cc(c1)[N+](=O)[O-]
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB49557
ChemicalName: 3-Methoxy-5-nitroaniline
CasNumber: 586-10-7
MolecularFormula: C7H8N2O3
MolecularWeight: 168.15
MdlNumber: MFCD01103799
Smiles: COc1cc(N)cc(c1)[N+](=O)[O-]
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB49557
ChemicalName:
3-Methoxy-5-nitroaniline
CasNumber:
586-10-7
MolecularFormula:
C7H8N2O3
MolecularWeight:
168.15
MdlNumber:
MFCD01103799
Smiles:
COc1cc(N)cc(c1)[N+](=O)[O-]
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB49558
ChemicalName: 2,6-Difluoro-3-nitropyridine
CasNumber: 58602-02-1
MolecularFormula: C5H2F2N2O2
MolecularWeight: 160.0784
MdlNumber: MFCD29043384
Smiles: [O-][N+](=O)c1ccc(nc1F)F
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB49558
ChemicalName:
2,6-Difluoro-3-nitropyridine
CasNumber:
58602-02-1
MolecularFormula:
C5H2F2N2O2
MolecularWeight:
160.0784
MdlNumber:
MFCD29043384
Smiles:
[O-][N+](=O)c1ccc(nc1F)F
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1Br
Complexity: 134
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccccc1Br
Complexity:
134
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB49560
ChemicalName: 2-Chloro-1,3-benzothiazole-6-carboxylic acid
CasNumber: 3855-95-6
MolecularFormula: C8H4ClNO2S
MolecularWeight: 213.6409
MdlNumber: MFCD08689736
Smiles: Clc1nc2c(s1)cc(cc2)C(=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB49560
ChemicalName:
2-Chloro-1,3-benzothiazole-6-carboxylic acid
CasNumber:
3855-95-6
MolecularFormula:
C8H4ClNO2S
MolecularWeight:
213.6409
MdlNumber:
MFCD08689736
Smiles:
Clc1nc2c(s1)cc(cc2)C(=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1