AG79806
64695-92-7 | 4-Fluoro-2-methyl-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG79806
ChemicalName
4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber
64695-92-7
MolecularFormula
C8H6FNO4
MolecularWeight
199.1359
MdlNumber
MFCD11847453
Smiles
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AG79806
ChemicalName: 4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber: 64695-92-7
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD11847453
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AG79806
ChemicalName:
4-Fluoro-2-methyl-5-nitrobenzoic acid
CasNumber:
64695-92-7
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD11847453
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AG79807
ChemicalName: 4-Fluorophenyl 2-nitrobenzoate
CasNumber: 62433-22-1
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD25953893
Smiles: Fc1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-]
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AG79807
ChemicalName:
4-Fluorophenyl 2-nitrobenzoate
CasNumber:
62433-22-1
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD25953893
Smiles:
Fc1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-]
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: AG79808
ChemicalName: Ethyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CasNumber: 6124-13-6
MolecularFormula: C10H10N2O3S
MolecularWeight: 238.263
MdlNumber: MFCD24847006
Smiles: CCOC(=O)c1cnc2n(c1=O)c(C)cs2
Complexity: 451
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AG79808
ChemicalName:
Ethyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CasNumber:
6124-13-6
MolecularFormula:
C10H10N2O3S
MolecularWeight:
238.263
MdlNumber:
MFCD24847006
Smiles:
CCOC(=O)c1cnc2n(c1=O)c(C)cs2
Complexity:
451
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: AG79809
ChemicalName: 4-(Cyclopropylsulfonyl)phenylboronic acid pinacol ester
CasNumber: 648906-27-8
MolecularFormula: C15H21BO4S
MolecularWeight: 308.2008399999999
MdlNumber: MFCD24448818
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)S(=O)(=O)C1CC1
Complexity: 480
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AG79809
ChemicalName:
4-(Cyclopropylsulfonyl)phenylboronic acid pinacol ester
CasNumber:
648906-27-8
MolecularFormula:
C15H21BO4S
MolecularWeight:
308.2008399999999
MdlNumber:
MFCD24448818
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)S(=O)(=O)C1CC1
Complexity:
480
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__