AI39829
1807109-55-2 | 2-Bromo-3-methyl-6-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39829
ChemicalName
2-Bromo-3-methyl-6-nitrobenzoic acid
CasNumber
1807109-55-2
MolecularFormula
C8H6BrNO4
MolecularWeight
260.0415
MdlNumber
MFCD28143928
Smiles
OC(=O)c1c(ccc(c1Br)C)[N+](=O)[O-]
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AI39829
ChemicalName: 2-Bromo-3-methyl-6-nitrobenzoic acid
CasNumber: 1807109-55-2
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD28143928
Smiles: OC(=O)c1c(ccc(c1Br)C)[N+](=O)[O-]
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI39829
ChemicalName:
2-Bromo-3-methyl-6-nitrobenzoic acid
CasNumber:
1807109-55-2
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD28143928
Smiles:
OC(=O)c1c(ccc(c1Br)C)[N+](=O)[O-]
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(Cl)c(cc1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(Cl)c(cc1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(O)c(c(c1)C(=O)O)F
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(O)c(c(c1)C(=O)O)F
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1nc(Br)ccc1N
Complexity: 162
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1nc(Br)ccc1N
Complexity:
162
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8