AI47880
330793-13-0 | 2-(4-Bromophenoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI47880
ChemicalName
2-(4-Bromophenoxy)benzonitrile
CasNumber
330793-13-0
MolecularFormula
C13H8BrNO
MolecularWeight
274.1127
MdlNumber
MFCD10564769
Smiles
N#Cc1ccccc1Oc1ccc(cc1)Br
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.8
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CatalogNumber: AI47880
ChemicalName: 2-(4-Bromophenoxy)benzonitrile
CasNumber: 330793-13-0
MolecularFormula: C13H8BrNO
MolecularWeight: 274.1127
MdlNumber: MFCD10564769
Smiles: N#Cc1ccccc1Oc1ccc(cc1)Br
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AI47880
ChemicalName:
2-(4-Bromophenoxy)benzonitrile
CasNumber:
330793-13-0
MolecularFormula:
C13H8BrNO
MolecularWeight:
274.1127
MdlNumber:
MFCD10564769
Smiles:
N#Cc1ccccc1Oc1ccc(cc1)Br
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.8
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Smiles: Brc1ccc(cc1)Nc1nc2c(n1C)cccc2
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Brc1ccc(cc1)Nc1nc2c(n1C)cccc2
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)Nc1nc2c(o1)cccc2
Complexity: __
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Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)Nc1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1NC(=O)OC(C)(C)C)F
Complexity: __
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MolecularFormula:
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MdlNumber:
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Smiles:
COc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1NC(=O)OC(C)(C)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__