AE62319
1354771-68-8 | 7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62319
ChemicalName
7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid
CasNumber
1354771-68-8
MolecularFormula
C7H4BrN3O2
MolecularWeight
242.0296
MdlNumber
MFCD01327190
Smiles
OC(=O)c1cc(Br)c2c(c1)nn[nH]2
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AE62319
ChemicalName: 7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 1354771-68-8
MolecularFormula: C7H4BrN3O2
MolecularWeight: 242.0296
MdlNumber: MFCD01327190
Smiles: OC(=O)c1cc(Br)c2c(c1)nn[nH]2
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AE62319
ChemicalName:
7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
1354771-68-8
MolecularFormula:
C7H4BrN3O2
MolecularWeight:
242.0296
MdlNumber:
MFCD01327190
Smiles:
OC(=O)c1cc(Br)c2c(c1)nn[nH]2
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AE62320
ChemicalName: 1-Bromo-5-butoxy-2-chloro-4-nitrobenzene
CasNumber: 1393442-61-9
MolecularFormula: C10H11BrClNO3
MolecularWeight: 308.5562
MdlNumber: MFCD22383654
Smiles: [O-][N+](=O)c1cc(Cl)c(cc1OCCCC)Br
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 4.3
CatalogNumber:
AE62320
ChemicalName:
1-Bromo-5-butoxy-2-chloro-4-nitrobenzene
CasNumber:
1393442-61-9
MolecularFormula:
C10H11BrClNO3
MolecularWeight:
308.5562
MdlNumber:
MFCD22383654
Smiles:
[O-][N+](=O)c1cc(Cl)c(cc1OCCCC)Br
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc2c(n1CCCC)cc(c(c2)Br)F
Complexity: 239
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc2c(n1CCCC)cc(c(c2)Br)F
Complexity:
239
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1c(C)nc2c1c(Br)cc(c2)C#N
Complexity: 311
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1c(C)nc2c1c(Br)cc(c2)C#N
Complexity:
311
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4