AF36909
220143-28-2 | 1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36909
ChemicalName
1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber
220143-28-2
MolecularFormula
C14H11N3O2
MolecularWeight
253.256
MdlNumber
MFCD09031749
Smiles
OC(=O)c1ccc2c(c1)nnn2Cc1ccccc1
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AF36909
ChemicalName: 1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 220143-28-2
MolecularFormula: C14H11N3O2
MolecularWeight: 253.256
MdlNumber: MFCD09031749
Smiles: OC(=O)c1ccc2c(c1)nnn2Cc1ccccc1
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AF36909
ChemicalName:
1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
220143-28-2
MolecularFormula:
C14H11N3O2
MolecularWeight:
253.256
MdlNumber:
MFCD09031749
Smiles:
OC(=O)c1ccc2c(c1)nnn2Cc1ccccc1
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)nc(n2Cc1ccccc1)C
Complexity: 354
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)nc(n2Cc1ccccc1)C
Complexity:
354
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AF36911
ChemicalName: 4-[2-(Benzyloxy)ethoxy]benzoic acid
CasNumber: 223268-58-4
MolecularFormula: C16H16O4
MolecularWeight: 272.2958
MdlNumber: MFCD13723074
Smiles: OC(=O)c1ccc(cc1)OCCOCc1ccccc1
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2.8
CatalogNumber:
AF36911
ChemicalName:
4-[2-(Benzyloxy)ethoxy]benzoic acid
CasNumber:
223268-58-4
MolecularFormula:
C16H16O4
MolecularWeight:
272.2958
MdlNumber:
MFCD13723074
Smiles:
OC(=O)c1ccc(cc1)OCCOCc1ccccc1
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2.8