AE62387
1420800-38-9 | 7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62387
ChemicalName
7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber
1420800-38-9
MolecularFormula
C8H6BrN3O2
MolecularWeight
256.0561
MdlNumber
MFCD22689140
Smiles
OC(=O)c1cc(Br)c2c(c1)nnn2C
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AE62387
ChemicalName: 7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 1420800-38-9
MolecularFormula: C8H6BrN3O2
MolecularWeight: 256.0561
MdlNumber: MFCD22689140
Smiles: OC(=O)c1cc(Br)c2c(c1)nnn2C
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AE62387
ChemicalName:
7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
1420800-38-9
MolecularFormula:
C8H6BrN3O2
MolecularWeight:
256.0561
MdlNumber:
MFCD22689140
Smiles:
OC(=O)c1cc(Br)c2c(c1)nnn2C
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cn2c(n1)cc(c(c2)Br)C
Complexity: 249
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1cn2c(n1)cc(c(c2)Br)C
Complexity:
249
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: Cc1ccc(cc1)c1cc(O)cc(c1)Br
Complexity: __
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Smiles:
Cc1ccc(cc1)c1cc(O)cc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1ccc(cc1Br)N1CCCS1(=O)=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1ccc(cc1Br)N1CCCS1(=O)=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__