AI53426
602-00-6 | 3-Hydroxy-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI53426
ChemicalName
3-Hydroxy-2-nitrobenzoic acid
CasNumber
602-00-6
MolecularFormula
C7H5NO5
MolecularWeight
183.1183
MdlNumber
MFCD00017003
Smiles
[O-][N+](=O)c1c(O)cccc1C(=O)O
NscNumber
159685
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AI53426
ChemicalName: 3-Hydroxy-2-nitrobenzoic acid
CasNumber: 602-00-6
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD00017003
Smiles: [O-][N+](=O)c1c(O)cccc1C(=O)O
NscNumber: 159685
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI53426
ChemicalName:
3-Hydroxy-2-nitrobenzoic acid
CasNumber:
602-00-6
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD00017003
Smiles:
[O-][N+](=O)c1c(O)cccc1C(=O)O
NscNumber:
159685
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AI53427
ChemicalName: pentafluorobenzoic acid
CasNumber: 602-94-8
MolecularFormula: C7HF5O2
MolecularWeight: 212.0737
MdlNumber: MFCD00002406
Smiles: Fc1c(F)c(C(=O)O)c(c(c1F)F)F
NscNumber: 88337
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AI53427
ChemicalName:
pentafluorobenzoic acid
CasNumber:
602-94-8
MolecularFormula:
C7HF5O2
MolecularWeight:
212.0737
MdlNumber:
MFCD00002406
Smiles:
Fc1c(F)c(C(=O)O)c(c(c1F)F)F
NscNumber:
88337
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CN(C(=N)N)C.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CN(C(=N)N)C.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AI53429
ChemicalName: Clorsulon
CasNumber: 60200-06-8
MolecularFormula: C8H8Cl3N3O4S2
MolecularWeight: 380.6558
MdlNumber: MFCD00072006
Smiles: ClC(=C(c1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI53429
ChemicalName:
Clorsulon
CasNumber:
60200-06-8
MolecularFormula:
C8H8Cl3N3O4S2
MolecularWeight:
380.6558
MdlNumber:
MFCD00072006
Smiles:
ClC(=C(c1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__