AI14333
1218950-96-9 | Methyl 2-(4-bromophenyl)-2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AI14333
ChemicalName
Methyl 2-(4-bromophenyl)-2-cyanoacetate
CasNumber
1218950-96-9
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD19329148
Smiles
COC(=O)C(c1ccc(cc1)Br)C#N
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AI14333
ChemicalName: Methyl 2-(4-bromophenyl)-2-cyanoacetate
CasNumber: 1218950-96-9
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD19329148
Smiles: COC(=O)C(c1ccc(cc1)Br)C#N
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AI14333
ChemicalName:
Methyl 2-(4-bromophenyl)-2-cyanoacetate
CasNumber:
1218950-96-9
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD19329148
Smiles:
COC(=O)C(c1ccc(cc1)Br)C#N
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: AI14334
ChemicalName: Methyl 2-(2-bromophenyl)-2-cyanoacetate
CasNumber: 1218951-02-0
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD23743193
Smiles: N#CC(c1ccccc1Br)C(=O)OC
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AI14334
ChemicalName:
Methyl 2-(2-bromophenyl)-2-cyanoacetate
CasNumber:
1218951-02-0
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD23743193
Smiles:
N#CC(c1ccccc1Br)C(=O)OC
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
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Smiles: B(C1=CC=CC=C1N2CCNCC2)(O)O
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B(C1=CC=CC=C1N2CCNCC2)(O)O
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Smiles: N#Cc1c(F)cccc1B(O)O
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__
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MolecularFormula:
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Smiles:
N#Cc1c(F)cccc1B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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