AI60041
895579-16-5 | Methyl 2-(3-bromophenyl)-2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AI60041
ChemicalName
Methyl 2-(3-bromophenyl)-2-cyanoacetate
CasNumber
895579-16-5
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD19329147
Smiles
N#CC(c1cccc(c1)Br)C(=O)OC
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AI60041
ChemicalName: Methyl 2-(3-bromophenyl)-2-cyanoacetate
CasNumber: 895579-16-5
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD19329147
Smiles: N#CC(c1cccc(c1)Br)C(=O)OC
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AI60041
ChemicalName:
Methyl 2-(3-bromophenyl)-2-cyanoacetate
CasNumber:
895579-16-5
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD19329147
Smiles:
N#CC(c1cccc(c1)Br)C(=O)OC
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
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Smiles: OC[C@H]1CCNC[C@H]1F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OC[C@H]1CCNC[C@H]1F
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HydrogenBondAcceptorCount:
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Smiles: CC(C(N)(C)C)(O)C
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Smiles:
CC(C(N)(C)C)(O)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1ccc(cc1)Cn1cc(c(n1)N)Br
Complexity: __
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HeavyAtomCount: __
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__
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(cc1)Cn1cc(c(n1)N)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__