AC77130
753924-40-2 | 2-Fluoro-4-methyl-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC77130
ChemicalName
2-Fluoro-4-methyl-5-nitrobenzoic acid
CasNumber
753924-40-2
MolecularFormula
C8H6FNO4
MolecularWeight
199.1359
MdlNumber
MFCD18426005
Smiles
[O-][N+](=O)c1cc(C(=O)O)c(cc1C)F
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AC77130
ChemicalName: 2-Fluoro-4-methyl-5-nitrobenzoic acid
CasNumber: 753924-40-2
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD18426005
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1C)F
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AC77130
ChemicalName:
2-Fluoro-4-methyl-5-nitrobenzoic acid
CasNumber:
753924-40-2
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD18426005
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1C)F
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O1C2C1CN(C2)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O1C2C1CN(C2)Cc1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCC(=O)N[C@H](C(=O)O)CCCCN
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Smiles:
CCCCCCCCCC(=O)N[C@H](C(=O)O)CCCCN
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CNCC1CCCCC1(O)c1cccc(c1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CNCC1CCCCC1(O)c1cccc(c1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__