AH21586
691363-13-0 | 1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH21586
ChemicalName
1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber
691363-13-0
MolecularFormula
C10H9N3O2
MolecularWeight
203.1974
MdlNumber
MFCD09031746
Smiles
OC(=O)c1ccc2c(c1)nnn2C1CC1
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AH21586
ChemicalName: 1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 691363-13-0
MolecularFormula: C10H9N3O2
MolecularWeight: 203.1974
MdlNumber: MFCD09031746
Smiles: OC(=O)c1ccc2c(c1)nnn2C1CC1
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AH21586
ChemicalName:
1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
691363-13-0
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.1974
MdlNumber:
MFCD09031746
Smiles:
OC(=O)c1ccc2c(c1)nnn2C1CC1
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AH21587
ChemicalName: 1-Cyclohexyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 691363-11-8
MolecularFormula: C13H15N3O2
MolecularWeight: 245.2771
MdlNumber: MFCD06589795
Smiles: OC(=O)c1ccc2c(c1)nnn2C1CCCCC1
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AH21587
ChemicalName:
1-Cyclohexyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
691363-11-8
MolecularFormula:
C13H15N3O2
MolecularWeight:
245.2771
MdlNumber:
MFCD06589795
Smiles:
OC(=O)c1ccc2c(c1)nnn2C1CCCCC1
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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