AH21588
716358-46-2 | 3-[(Isopropylamino)sulfonyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH21588
ChemicalName
3-[(Isopropylamino)sulfonyl]benzoic acid
CasNumber
716358-46-2
MolecularFormula
C10H13NO4S
MolecularWeight
243.2795
MdlNumber
MFCD05270857
Smiles
CC(NS(=O)(=O)c1cccc(c1)C(=O)O)C
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AH21588
ChemicalName: 3-[(Isopropylamino)sulfonyl]benzoic acid
CasNumber: 716358-46-2
MolecularFormula: C10H13NO4S
MolecularWeight: 243.2795
MdlNumber: MFCD05270857
Smiles: CC(NS(=O)(=O)c1cccc(c1)C(=O)O)C
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AH21588
ChemicalName:
3-[(Isopropylamino)sulfonyl]benzoic acid
CasNumber:
716358-46-2
MolecularFormula:
C10H13NO4S
MolecularWeight:
243.2795
MdlNumber:
MFCD05270857
Smiles:
CC(NS(=O)(=O)c1cccc(c1)C(=O)O)C
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: AH21591
ChemicalName: 4-(4-Methoxyphenyl)-2-nitrobenzoic acid
CasNumber: 669002-29-3
MolecularFormula: C14H11NO5
MolecularWeight: 273.2408
MdlNumber: MFCD18319531
Smiles: COc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AH21591
ChemicalName:
4-(4-Methoxyphenyl)-2-nitrobenzoic acid
CasNumber:
669002-29-3
MolecularFormula:
C14H11NO5
MolecularWeight:
273.2408
MdlNumber:
MFCD18319531
Smiles:
COc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: AH21592
ChemicalName: Ethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate
CasNumber: 71254-70-1
MolecularFormula: C12H14N2O2
MolecularWeight: 218.2518
MdlNumber: MFCD23135967
Smiles: CCOC(=O)c1ccc2c(c1)nc(n2C)C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AH21592
ChemicalName:
Ethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate
CasNumber:
71254-70-1
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.2518
MdlNumber:
MFCD23135967
Smiles:
CCOC(=O)c1ccc2c(c1)nc(n2C)C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AH21593
ChemicalName: 2-(2-Carboxyethyl)phenylboronic acid
CasNumber: 717107-32-9
MolecularFormula: C9H11BO4
MolecularWeight: 193.9922
MdlNumber: MFCD20645590
Smiles: OC(=O)CCc1ccccc1B(O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AH21593
ChemicalName:
2-(2-Carboxyethyl)phenylboronic acid
CasNumber:
717107-32-9
MolecularFormula:
C9H11BO4
MolecularWeight:
193.9922
MdlNumber:
MFCD20645590
Smiles:
OC(=O)CCc1ccccc1B(O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__