AE62227
1400644-56-5 | Methyl 1-butyl-1,2,3-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62227
ChemicalName
Methyl 1-butyl-1,2,3-benzotriazole-5-carboxylate
CasNumber
1400644-56-5
MolecularFormula
C12H15N3O2
MolecularWeight
233.2664
MdlNumber
MFCD22421553
Smiles
CCCCn1nnc2c1ccc(c2)C(=O)OC
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AE62227
ChemicalName: Methyl 1-butyl-1,2,3-benzotriazole-5-carboxylate
CasNumber: 1400644-56-5
MolecularFormula: C12H15N3O2
MolecularWeight: 233.2664
MdlNumber: MFCD22421553
Smiles: CCCCn1nnc2c1ccc(c2)C(=O)OC
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AE62227
ChemicalName:
Methyl 1-butyl-1,2,3-benzotriazole-5-carboxylate
CasNumber:
1400644-56-5
MolecularFormula:
C12H15N3O2
MolecularWeight:
233.2664
MdlNumber:
MFCD22421553
Smiles:
CCCCn1nnc2c1ccc(c2)C(=O)OC
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1cnc2c1ccc(c2)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1cnc2c1ccc(c2)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62229
ChemicalName: 4-(Bromomethyl)naphthalene-1-boronic acid, pinacol ester
CasNumber: 1422655-33-1
MolecularFormula: C17H20BBrO2
MolecularWeight: 347.0545
MdlNumber: MFCD20441898
Smiles: BrCc1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE62229
ChemicalName:
4-(Bromomethyl)naphthalene-1-boronic acid, pinacol ester
CasNumber:
1422655-33-1
MolecularFormula:
C17H20BBrO2
MolecularWeight:
347.0545
MdlNumber:
MFCD20441898
Smiles:
BrCc1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__