AD72458
1355247-27-6 | 4-(2,3-Difluorophenyl)phenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD72458
ChemicalName
4-(2,3-Difluorophenyl)phenylacetic acid
CasNumber
1355247-27-6
MolecularFormula
C14H10F2O2
MolecularWeight
248.2248
MdlNumber
MFCD21333030
Smiles
OC(=O)Cc1ccc(cc1)c1cccc(c1F)F
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AD72458
ChemicalName: 4-(2,3-Difluorophenyl)phenylacetic acid
CasNumber: 1355247-27-6
MolecularFormula: C14H10F2O2
MolecularWeight: 248.2248
MdlNumber: MFCD21333030
Smiles: OC(=O)Cc1ccc(cc1)c1cccc(c1F)F
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AD72458
ChemicalName:
4-(2,3-Difluorophenyl)phenylacetic acid
CasNumber:
1355247-27-6
MolecularFormula:
C14H10F2O2
MolecularWeight:
248.2248
MdlNumber:
MFCD21333030
Smiles:
OC(=O)Cc1ccc(cc1)c1cccc(c1F)F
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)ncn2C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)ncn2C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD72460
ChemicalName: 4-Amino-3-bromo-5-nitrobenzamide
CasNumber: 1355247-21-0
MolecularFormula: C7H6BrN3O3
MolecularWeight: 260.0448
MdlNumber: MFCD21332917
Smiles: [O-][N+](=O)c1cc(cc(c1N)Br)C(=O)N
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AD72460
ChemicalName:
4-Amino-3-bromo-5-nitrobenzamide
CasNumber:
1355247-21-0
MolecularFormula:
C7H6BrN3O3
MolecularWeight:
260.0448
MdlNumber:
MFCD21332917
Smiles:
[O-][N+](=O)c1cc(cc(c1N)Br)C(=O)N
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AD72461
ChemicalName: 2-Chloro-4-(4-methoxyphenyl)benzonitrile
CasNumber: 1355247-15-2
MolecularFormula: C14H10ClNO
MolecularWeight: 243.6883
MdlNumber: MFCD21333024
Smiles: COc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AD72461
ChemicalName:
2-Chloro-4-(4-methoxyphenyl)benzonitrile
CasNumber:
1355247-15-2
MolecularFormula:
C14H10ClNO
MolecularWeight:
243.6883
MdlNumber:
MFCD21333024
Smiles:
COc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.9