AF00682
1437795-19-1 | 4-Bromo-5-chloro-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00682
ChemicalName
4-Bromo-5-chloro-2-nitrobenzoic acid
CasNumber
1437795-19-1
MolecularFormula
C7H3BrClNO4
MolecularWeight
280.46
MdlNumber
MFCD24448760
Smiles
OC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Br
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AF00682
ChemicalName: 4-Bromo-5-chloro-2-nitrobenzoic acid
CasNumber: 1437795-19-1
MolecularFormula: C7H3BrClNO4
MolecularWeight: 280.46
MdlNumber: MFCD24448760
Smiles: OC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Br
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AF00682
ChemicalName:
4-Bromo-5-chloro-2-nitrobenzoic acid
CasNumber:
1437795-19-1
MolecularFormula:
C7H3BrClNO4
MolecularWeight:
280.46
MdlNumber:
MFCD24448760
Smiles:
OC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Br
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(Br)c2c(c1)ncn2C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(Br)c2c(c1)ncn2C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF00684
ChemicalName: 4-Bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
CasNumber: 1437794-36-9
MolecularFormula: C9H10BrF3N2
MolecularWeight: 283.0883
MdlNumber: MFCD24448783
Smiles: Brc1cn(nc1C(F)(F)F)C1CCCC1
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AF00684
ChemicalName:
4-Bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
CasNumber:
1437794-36-9
MolecularFormula:
C9H10BrF3N2
MolecularWeight:
283.0883
MdlNumber:
MFCD24448783
Smiles:
Brc1cn(nc1C(F)(F)F)C1CCCC1
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cnc2c1c(Br)cc(c2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cnc2c1c(Br)cc(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__