AB19969
210345-56-5 | Methyl 5-bromo-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB19969
ChemicalName
Methyl 5-bromo-1H-indole-2-carboxylate
CasNumber
210345-56-5
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD01854034
Smiles
COC(=O)c1cc2c([nH]1)ccc(c2)Br
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AB19969
ChemicalName: Methyl 5-bromo-1H-indole-2-carboxylate
CasNumber: 210345-56-5
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD01854034
Smiles: COC(=O)c1cc2c([nH]1)ccc(c2)Br
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB19969
ChemicalName:
Methyl 5-bromo-1H-indole-2-carboxylate
CasNumber:
210345-56-5
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD01854034
Smiles:
COC(=O)c1cc2c([nH]1)ccc(c2)Br
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N)CC(=O)O)c1ccc2c(c1)oc(=O)cc2C(F)(F)F)Cc1nc[nH]c1)CCC(=O)O)NC(=O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N)CC(=O)O)c1ccc2c(c1)oc(=O)cc2C(F)(F)F)Cc1nc[nH]c1)CCC(=O)O)NC(=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCc1ccccn1
Complexity: 73.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCc1ccccn1
Complexity:
73.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=CCN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=CCN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__