AB52704
103877-76-5 | 3,5-Difluoro-4-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52704
ChemicalName
3,5-Difluoro-4-methylbenzoic acid
CasNumber
103877-76-5
MolecularFormula
C8H6F2O2
MolecularWeight
172.1288
MdlNumber
MFCD20545741
Smiles
OC(=O)c1cc(F)c(c(c1)F)C
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB52704
ChemicalName: 3,5-Difluoro-4-methylbenzoic acid
CasNumber: 103877-76-5
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD20545741
Smiles: OC(=O)c1cc(F)c(c(c1)F)C
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB52704
ChemicalName:
3,5-Difluoro-4-methylbenzoic acid
CasNumber:
103877-76-5
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD20545741
Smiles:
OC(=O)c1cc(F)c(c(c1)F)C
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB52705
ChemicalName: 4-Aminopyrrolidin-2-one hydrochloride
CasNumber: 167465-93-2
MolecularFormula: C4H9ClN2O
MolecularWeight: 136.5801
MdlNumber: MFCD11519397
Smiles: NC1CC(=O)NC1.Cl
Complexity: 91.7
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52705
ChemicalName:
4-Aminopyrrolidin-2-one hydrochloride
CasNumber:
167465-93-2
MolecularFormula:
C4H9ClN2O
MolecularWeight:
136.5801
MdlNumber:
MFCD11519397
Smiles:
NC1CC(=O)NC1.Cl
Complexity:
91.7
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52706
ChemicalName: 6-Chloro-5-nitropicolinic acid
CasNumber: 353277-27-7
MolecularFormula: C6H3ClN2O4
MolecularWeight: 202.552
MdlNumber: MFCD01927937
Smiles: OC(=O)c1ccc(c(n1)Cl)[N+](=O)[O-]
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB52706
ChemicalName:
6-Chloro-5-nitropicolinic acid
CasNumber:
353277-27-7
MolecularFormula:
C6H3ClN2O4
MolecularWeight:
202.552
MdlNumber:
MFCD01927937
Smiles:
OC(=O)c1ccc(c(n1)Cl)[N+](=O)[O-]
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB52707
ChemicalName: 2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole
CasNumber: 110704-50-2
MolecularFormula: C9H5ClF3NS
MolecularWeight: 251.6559
MdlNumber: MFCD11040746
Smiles: ClCc1sc2c(n1)cc(cc2)C(F)(F)F
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AB52707
ChemicalName:
2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole
CasNumber:
110704-50-2
MolecularFormula:
C9H5ClF3NS
MolecularWeight:
251.6559
MdlNumber:
MFCD11040746
Smiles:
ClCc1sc2c(n1)cc(cc2)C(F)(F)F
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7