AE62412
1354771-56-4 | Ethyl 7-bromo-1H-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62412
ChemicalName
Ethyl 7-bromo-1H-1,3-benzodiazole-5-carboxylate
CasNumber
1354771-56-4
MolecularFormula
C10H9BrN2O2
MolecularWeight
269.0947
MdlNumber
MFCD20501498
Smiles
CCOC(=O)c1cc(Br)c2c(c1)nc[nH]2
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AE62412
ChemicalName: Ethyl 7-bromo-1H-1,3-benzodiazole-5-carboxylate
CasNumber: 1354771-56-4
MolecularFormula: C10H9BrN2O2
MolecularWeight: 269.0947
MdlNumber: MFCD20501498
Smiles: CCOC(=O)c1cc(Br)c2c(c1)nc[nH]2
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AE62412
ChemicalName:
Ethyl 7-bromo-1H-1,3-benzodiazole-5-carboxylate
CasNumber:
1354771-56-4
MolecularFormula:
C10H9BrN2O2
MolecularWeight:
269.0947
MdlNumber:
MFCD20501498
Smiles:
CCOC(=O)c1cc(Br)c2c(c1)nc[nH]2
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc(Br)c2c(c1)[nH]nn2
Complexity: 252
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc(Br)c2c(c1)[nH]nn2
Complexity:
252
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=O)c1cccc(c1F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=O)c1cccc(c1F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc(Br)c2c(c1)ncn2C
Complexity: 275
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc(Br)c2c(c1)ncn2C
Complexity:
275
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3