AC39505
844878-91-7 | 3-(3,4-Dichlorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC39505
ChemicalName
3-(3,4-Dichlorophenyl)benzoic acid
CasNumber
844878-91-7
MolecularFormula
C13H8Cl2O2
MolecularWeight
267.1074
MdlNumber
MFCD06201435
Smiles
OC(=O)c1cccc(c1)c1ccc(c(c1)Cl)Cl
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.8
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CatalogNumber: AC39505
ChemicalName: 3-(3,4-Dichlorophenyl)benzoic acid
CasNumber: 844878-91-7
MolecularFormula: C13H8Cl2O2
MolecularWeight: 267.1074
MdlNumber: MFCD06201435
Smiles: OC(=O)c1cccc(c1)c1ccc(c(c1)Cl)Cl
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.8
CatalogNumber:
AC39505
ChemicalName:
3-(3,4-Dichlorophenyl)benzoic acid
CasNumber:
844878-91-7
MolecularFormula:
C13H8Cl2O2
MolecularWeight:
267.1074
MdlNumber:
MFCD06201435
Smiles:
OC(=O)c1cccc(c1)c1ccc(c(c1)Cl)Cl
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.8
CatalogNumber: AC39507
ChemicalName: 6-Bromo-5-nitropyridin-2-amine
CasNumber: 84487-05-8
MolecularFormula: C5H4BrN3O2
MolecularWeight: 218.0082
MdlNumber: MFCD13193512
Smiles: [O-][N+](=O)c1ccc(nc1Br)N
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AC39507
ChemicalName:
6-Bromo-5-nitropyridin-2-amine
CasNumber:
84487-05-8
MolecularFormula:
C5H4BrN3O2
MolecularWeight:
218.0082
MdlNumber:
MFCD13193512
Smiles:
[O-][N+](=O)c1ccc(nc1Br)N
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1(CCC1)c1ccc(c(c1)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1(CCC1)c1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c[n+]([O-])cc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c[n+]([O-])cc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__