AH58749
748801-92-5 | 5-Chloro-3-(2,5-dichlorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH58749
ChemicalName
5-Chloro-3-(2,5-dichlorophenyl)benzoic acid
CasNumber
748801-92-5
MolecularFormula
C13H7Cl3O2
MolecularWeight
301.5525
MdlNumber
MFCD18321875
Smiles
Clc1cc(cc(c1)c1cc(Cl)ccc1Cl)C(=O)O
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
5.3
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CatalogNumber: AH58749
ChemicalName: 5-Chloro-3-(2,5-dichlorophenyl)benzoic acid
CasNumber: 748801-92-5
MolecularFormula: C13H7Cl3O2
MolecularWeight: 301.5525
MdlNumber: MFCD18321875
Smiles: Clc1cc(cc(c1)c1cc(Cl)ccc1Cl)C(=O)O
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 5.3
CatalogNumber:
AH58749
ChemicalName:
5-Chloro-3-(2,5-dichlorophenyl)benzoic acid
CasNumber:
748801-92-5
MolecularFormula:
C13H7Cl3O2
MolecularWeight:
301.5525
MdlNumber:
MFCD18321875
Smiles:
Clc1cc(cc(c1)c1cc(Cl)ccc1Cl)C(=O)O
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
5.3
CatalogNumber: AH58750
ChemicalName: 3-Acetamido-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber: 760989-61-5
MolecularFormula: C16H22BNO5
MolecularWeight: 319.1606
MdlNumber: MFCD22494597
Smiles: COC(=O)c1ccc(cc1NC(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity: 463
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AH58750
ChemicalName:
3-Acetamido-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber:
760989-61-5
MolecularFormula:
C16H22BNO5
MolecularWeight:
319.1606
MdlNumber:
MFCD22494597
Smiles:
COC(=O)c1ccc(cc1NC(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity:
463
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AH58751
ChemicalName: 4-(Chloromethyl)-N-ethylbenzamide
CasNumber: 852157-71-2
MolecularFormula: C10H12ClNO
MolecularWeight: 197.6614
MdlNumber: MFCD11208368
Smiles: CCNC(=O)c1ccc(cc1)CCl
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AH58751
ChemicalName:
4-(Chloromethyl)-N-ethylbenzamide
CasNumber:
852157-71-2
MolecularFormula:
C10H12ClNO
MolecularWeight:
197.6614
MdlNumber:
MFCD11208368
Smiles:
CCNC(=O)c1ccc(cc1)CCl
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(ccc1Cl)c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(ccc1Cl)c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2