AE62418
1354758-03-4 | Methyl 7-bromo-1H-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62418
ChemicalName
Methyl 7-bromo-1H-benzotriazole-5-carboxylate
CasNumber
1354758-03-4
MolecularFormula
C8H6BrN3O2
MolecularWeight
256.0561
MdlNumber
MFCD20501506
Smiles
COC(=O)c1cc(Br)c2c(c1)nn[nH]2
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AE62418
ChemicalName: Methyl 7-bromo-1H-benzotriazole-5-carboxylate
CasNumber: 1354758-03-4
MolecularFormula: C8H6BrN3O2
MolecularWeight: 256.0561
MdlNumber: MFCD20501506
Smiles: COC(=O)c1cc(Br)c2c(c1)nn[nH]2
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AE62418
ChemicalName:
Methyl 7-bromo-1H-benzotriazole-5-carboxylate
CasNumber:
1354758-03-4
MolecularFormula:
C8H6BrN3O2
MolecularWeight:
256.0561
MdlNumber:
MFCD20501506
Smiles:
COC(=O)c1cc(Br)c2c(c1)nn[nH]2
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c2c(c1)[nH]cn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c2c(c1)[nH]cn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62420
ChemicalName: 2-(Benzyloxy)-4-bromobenzaldehyde
CasNumber: 142602-43-5
MolecularFormula: C14H11BrO2
MolecularWeight: 291.1399400000001
MdlNumber: MFCD11651774
Smiles: O=Cc1ccc(cc1OCc1ccccc1)Br
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AE62420
ChemicalName:
2-(Benzyloxy)-4-bromobenzaldehyde
CasNumber:
142602-43-5
MolecularFormula:
C14H11BrO2
MolecularWeight:
291.1399400000001
MdlNumber:
MFCD11651774
Smiles:
O=Cc1ccc(cc1OCc1ccccc1)Br
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AE62421
ChemicalName: Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber: 1393441-88-7
MolecularFormula: C10H6BrClN2O4
MolecularWeight: 333.5226
MdlNumber: MFCD22383656
Smiles: N#CC(c1cc(Br)c(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AE62421
ChemicalName:
Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber:
1393441-88-7
MolecularFormula:
C10H6BrClN2O4
MolecularWeight:
333.5226
MdlNumber:
MFCD22383656
Smiles:
N#CC(c1cc(Br)c(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.8