AI48422
3440-99-1 | 5-(3-Bromophenyl)-1H-tetrazole
Manufacturer: A2B Chem
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CatalogNumber
AI48422
ChemicalName
5-(3-Bromophenyl)-1H-tetrazole
CasNumber
3440-99-1
MolecularFormula
C7H5BrN4
MolecularWeight
225.0454
MdlNumber
MFCD01075675
Smiles
Brc1cccc(c1)c1n[nH]nn1
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI48422
ChemicalName: 5-(3-Bromophenyl)-1H-tetrazole
CasNumber: 3440-99-1
MolecularFormula: C7H5BrN4
MolecularWeight: 225.0454
MdlNumber: MFCD01075675
Smiles: Brc1cccc(c1)c1n[nH]nn1
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI48422
ChemicalName:
5-(3-Bromophenyl)-1H-tetrazole
CasNumber:
3440-99-1
MolecularFormula:
C7H5BrN4
MolecularWeight:
225.0454
MdlNumber:
MFCD01075675
Smiles:
Brc1cccc(c1)c1n[nH]nn1
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AI48423
ChemicalName: 8-Bromo-7-methoxy-6-methyl-3,4-dihydronaphthalen-1(2h)-one
CasNumber: 34403-74-2
MolecularFormula: C12H13BrO2
MolecularWeight: 269.1344
MdlNumber: MFCD30478927
Smiles: COc1c(C)cc2c(c1Br)C(=O)CCC2
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AI48423
ChemicalName:
8-Bromo-7-methoxy-6-methyl-3,4-dihydronaphthalen-1(2h)-one
CasNumber:
34403-74-2
MolecularFormula:
C12H13BrO2
MolecularWeight:
269.1344
MdlNumber:
MFCD30478927
Smiles:
COc1c(C)cc2c(c1Br)C(=O)CCC2
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity: 437
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
437
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)Cc1csc(n1)Cc1ccc(cc1)Br
Complexity: 295
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)Cc1csc(n1)Cc1ccc(cc1)Br
Complexity:
295
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8