AB44368
609-99-4 | 3,5-Dinitrosalicylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44368
ChemicalName
3,5-Dinitrosalicylic acid
CasNumber
609-99-4
MolecularFormula
C7H4N2O7
MolecularWeight
228.1159
MdlNumber
MFCD00149501
Smiles
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])O
NscNumber
181
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB44368
ChemicalName: 3,5-Dinitrosalicylic acid
CasNumber: 609-99-4
MolecularFormula: C7H4N2O7
MolecularWeight: 228.1159
MdlNumber: MFCD00149501
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])O
NscNumber: 181
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB44368
ChemicalName:
3,5-Dinitrosalicylic acid
CasNumber:
609-99-4
MolecularFormula:
C7H4N2O7
MolecularWeight:
228.1159
MdlNumber:
MFCD00149501
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])O
NscNumber:
181
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB44369
ChemicalName: 1-Bromo-3,5-di-t-butylbenzene
CasNumber: 22385-77-9
MolecularFormula: C14H21Br
MolecularWeight: 269.2205
MdlNumber: MFCD00796945
Smiles: Brc1cc(cc(c1)C(C)(C)C)C(C)(C)C
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 6
CatalogNumber:
AB44369
ChemicalName:
1-Bromo-3,5-di-t-butylbenzene
CasNumber:
22385-77-9
MolecularFormula:
C14H21Br
MolecularWeight:
269.2205
MdlNumber:
MFCD00796945
Smiles:
Brc1cc(cc(c1)C(C)(C)C)C(C)(C)C
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cncc(c1)C(=O)O
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cncc(c1)C(=O)O
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=C2C1=C(NC2=O)c1cccs1)c1cccs1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=C2C1=C(NC2=O)c1cccs1)c1cccs1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__