AA16105
116465-48-6 | 2,5-Difluoro-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA16105
ChemicalName
2,5-Difluoro-4-nitrobenzoic acid
CasNumber
116465-48-6
MolecularFormula
C7H3F2NO4
MolecularWeight
203.0998
MdlNumber
MFCD03425705
Smiles
[O-][N+](=O)c1cc(F)c(cc1F)C(=O)O
NscNumber
59332
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AA16105
ChemicalName: 2,5-Difluoro-4-nitrobenzoic acid
CasNumber: 116465-48-6
MolecularFormula: C7H3F2NO4
MolecularWeight: 203.0998
MdlNumber: MFCD03425705
Smiles: [O-][N+](=O)c1cc(F)c(cc1F)C(=O)O
NscNumber: 59332
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA16105
ChemicalName:
2,5-Difluoro-4-nitrobenzoic acid
CasNumber:
116465-48-6
MolecularFormula:
C7H3F2NO4
MolecularWeight:
203.0998
MdlNumber:
MFCD03425705
Smiles:
[O-][N+](=O)c1cc(F)c(cc1F)C(=O)O
NscNumber:
59332
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
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Smiles: CSCCc1nnc(s1)N
NscNumber: __
Complexity: __
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HeavyAtomCount: __
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Smiles:
CSCCc1nnc(s1)N
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)N[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C1N(c2ccc3c(c2)cc[nH]3)C(=O)c2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1N(c2ccc3c(c2)cc[nH]3)C(=O)c2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__