AI41533
1845690-61-0 | Ethyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41533
ChemicalName
Ethyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate
CasNumber
1845690-61-0
MolecularFormula
C16H15N3O2
MolecularWeight
281.3092
MdlNumber
MFCD28962789
Smiles
CCOC(=O)c1ccc2c(c1)nnn2Cc1ccccc1
Complexity
357
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AI41533
ChemicalName: Ethyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate
CasNumber: 1845690-61-0
MolecularFormula: C16H15N3O2
MolecularWeight: 281.3092
MdlNumber: MFCD28962789
Smiles: CCOC(=O)c1ccc2c(c1)nnn2Cc1ccccc1
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AI41533
ChemicalName:
Ethyl 1-benzyl-1,2,3-benzotriazole-5-carboxylate
CasNumber:
1845690-61-0
MolecularFormula:
C16H15N3O2
MolecularWeight:
281.3092
MdlNumber:
MFCD28962789
Smiles:
CCOC(=O)c1ccc2c(c1)nnn2Cc1ccccc1
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: AI41535
ChemicalName: 4-Bromo-2-methanesulfonyl-N-methylaniline
CasNumber: 1845690-63-2
MolecularFormula: C8H10BrNO2S
MolecularWeight: 264.1395
MdlNumber: MFCD28962797
Smiles: CNc1ccc(cc1S(=O)(=O)C)Br
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI41535
ChemicalName:
4-Bromo-2-methanesulfonyl-N-methylaniline
CasNumber:
1845690-63-2
MolecularFormula:
C8H10BrNO2S
MolecularWeight:
264.1395
MdlNumber:
MFCD28962797
Smiles:
CNc1ccc(cc1S(=O)(=O)C)Br
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AI41536
ChemicalName: 2-Bromo-4-fluoro-N-methyl-6-nitroaniline
CasNumber: 1845693-81-3
MolecularFormula: C7H6BrFN2O2
MolecularWeight: 249.0371
MdlNumber: MFCD28962791
Smiles: CNc1c(Br)cc(cc1[N+](=O)[O-])F
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AI41536
ChemicalName:
2-Bromo-4-fluoro-N-methyl-6-nitroaniline
CasNumber:
1845693-81-3
MolecularFormula:
C7H6BrFN2O2
MolecularWeight:
249.0371
MdlNumber:
MFCD28962791
Smiles:
CNc1c(Br)cc(cc1[N+](=O)[O-])F
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: NC(=O)Cc1cccc(c1)N.Cl
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NC(=O)Cc1cccc(c1)N.Cl
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__