AI49988
408533-82-4 | 4-Bromo-3-methyl-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI49988
ChemicalName
4-Bromo-3-methyl-5-nitrobenzoic acid
CasNumber
408533-82-4
MolecularFormula
C8H6BrNO4
MolecularWeight
260.0415
MdlNumber
MFCD25963262
Smiles
[O-][N+](=O)c1cc(cc(c1Br)C)C(=O)O
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AI49988
ChemicalName: 4-Bromo-3-methyl-5-nitrobenzoic acid
CasNumber: 408533-82-4
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD25963262
Smiles: [O-][N+](=O)c1cc(cc(c1Br)C)C(=O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI49988
ChemicalName:
4-Bromo-3-methyl-5-nitrobenzoic acid
CasNumber:
408533-82-4
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD25963262
Smiles:
[O-][N+](=O)c1cc(cc(c1Br)C)C(=O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AI49989
ChemicalName: 2-Fluoro-5-(trifluoromethyl)benzonitrile
CasNumber: 4088-84-0
MolecularFormula: C8H3F4N
MolecularWeight: 189.1097
MdlNumber: MFCD00061280
Smiles: N#Cc1cc(ccc1F)C(F)(F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
AI49989
ChemicalName:
2-Fluoro-5-(trifluoromethyl)benzonitrile
CasNumber:
4088-84-0
MolecularFormula:
C8H3F4N
MolecularWeight:
189.1097
MdlNumber:
MFCD00061280
Smiles:
N#Cc1cc(ccc1F)C(F)(F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1cc(ccc1OC)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1cc(ccc1OC)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__