AI46502
28341-54-0 | 4-(4-Nitrophenoxy)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI46502
ChemicalName
4-(4-Nitrophenoxy)butanoic acid
CasNumber
28341-54-0
MolecularFormula
C10H11NO5
MolecularWeight
225.198
MdlNumber
MFCD02615346
Smiles
OC(=O)CCCOc1ccc(cc1)[N+](=O)[O-]
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.1
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CatalogNumber: AI46502
ChemicalName: 4-(4-Nitrophenoxy)butanoic acid
CasNumber: 28341-54-0
MolecularFormula: C10H11NO5
MolecularWeight: 225.198
MdlNumber: MFCD02615346
Smiles: OC(=O)CCCOc1ccc(cc1)[N+](=O)[O-]
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AI46502
ChemicalName:
4-(4-Nitrophenoxy)butanoic acid
CasNumber:
28341-54-0
MolecularFormula:
C10H11NO5
MolecularWeight:
225.198
MdlNumber:
MFCD02615346
Smiles:
OC(=O)CCCOc1ccc(cc1)[N+](=O)[O-]
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)c1ccc(cc1N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)c1ccc(cc1N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI46504
ChemicalName: 4-Amino-2-methylphenol
CasNumber: 2835-96-3
MolecularFormula: C7H9NO
MolecularWeight: 123.1525
MdlNumber: MFCD00007878
Smiles: CC1=C(C=CC(=C1)N)O
Complexity: 94.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AI46504
ChemicalName:
4-Amino-2-methylphenol
CasNumber:
2835-96-3
MolecularFormula:
C7H9NO
MolecularWeight:
123.1525
MdlNumber:
MFCD00007878
Smiles:
CC1=C(C=CC(=C1)N)O
Complexity:
94.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AI46505
ChemicalName: 2-Amino-3-methylphenol
CasNumber: 2835-97-4
MolecularFormula: C7H9NO
MolecularWeight: 123.15246000000002
MdlNumber: MFCD00075082
Smiles: Nc1c(C)cccc1O
Complexity: 94.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AI46505
ChemicalName:
2-Amino-3-methylphenol
CasNumber:
2835-97-4
MolecularFormula:
C7H9NO
MolecularWeight:
123.15246000000002
MdlNumber:
MFCD00075082
Smiles:
Nc1c(C)cccc1O
Complexity:
94.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.3