AA01187
1001401-62-2 | 2-(2H-1,2,3-Triazol-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA01187
ChemicalName
2-(2H-1,2,3-Triazol-2-yl)benzoic acid
CasNumber
1001401-62-2
MolecularFormula
C9H7N3O2
MolecularWeight
189.1708
MdlNumber
MFCD20486491
Smiles
OC(=O)c1ccccc1n1nccn1
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AA01187
ChemicalName: 2-(2H-1,2,3-Triazol-2-yl)benzoic acid
CasNumber: 1001401-62-2
MolecularFormula: C9H7N3O2
MolecularWeight: 189.1708
MdlNumber: MFCD20486491
Smiles: OC(=O)c1ccccc1n1nccn1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA01187
ChemicalName:
2-(2H-1,2,3-Triazol-2-yl)benzoic acid
CasNumber:
1001401-62-2
MolecularFormula:
C9H7N3O2
MolecularWeight:
189.1708
MdlNumber:
MFCD20486491
Smiles:
OC(=O)c1ccccc1n1nccn1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1NCCN(CC1)C(=O)OCc1ccccc1
Complexity: 265
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1NCCN(CC1)C(=O)OCc1ccccc1
Complexity:
265
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AA01189
ChemicalName: 4-Bromopiperidine hydrochloride
CasNumber: 1001397-43-8
MolecularFormula: C5H11BrClN
MolecularWeight: 200.5045
MdlNumber: MFCD21098324
Smiles: BrC1CCNCC1.Cl
Complexity: 50
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA01189
ChemicalName:
4-Bromopiperidine hydrochloride
CasNumber:
1001397-43-8
MolecularFormula:
C5H11BrClN
MolecularWeight:
200.5045
MdlNumber:
MFCD21098324
Smiles:
BrC1CCNCC1.Cl
Complexity:
50
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCN(CC1)c1ncc(cn1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCN(CC1)c1ncc(cn1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__