AF36903
30118-02-6 | 2-(3-Bromophenyl)-3-oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AF36903
ChemicalName
2-(3-Bromophenyl)-3-oxobutanenitrile
CasNumber
30118-02-6
MolecularFormula
C10H8BrNO
MolecularWeight
238.0806
MdlNumber
MFCD12138972
Smiles
N#CC(c1cccc(c1)Br)C(=O)C
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AF36903
ChemicalName: 2-(3-Bromophenyl)-3-oxobutanenitrile
CasNumber: 30118-02-6
MolecularFormula: C10H8BrNO
MolecularWeight: 238.0806
MdlNumber: MFCD12138972
Smiles: N#CC(c1cccc(c1)Br)C(=O)C
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AF36903
ChemicalName:
2-(3-Bromophenyl)-3-oxobutanenitrile
CasNumber:
30118-02-6
MolecularFormula:
C10H8BrNO
MolecularWeight:
238.0806
MdlNumber:
MFCD12138972
Smiles:
N#CC(c1cccc(c1)Br)C(=O)C
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AF36904
ChemicalName: 1-[(4-Bromophenyl)sulfanyl]-4-nitrobenzene
CasNumber: 21969-12-0
MolecularFormula: C12H8BrNO2S
MolecularWeight: 310.1664
MdlNumber: MFCD00172327
Smiles: Brc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4.6
CatalogNumber:
AF36904
ChemicalName:
1-[(4-Bromophenyl)sulfanyl]-4-nitrobenzene
CasNumber:
21969-12-0
MolecularFormula:
C12H8BrNO2S
MolecularWeight:
310.1664
MdlNumber:
MFCD00172327
Smiles:
Brc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)Br)NC1CC1
Complexity: 195
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)Br)NC1CC1
Complexity:
195
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: AF36906
ChemicalName: 2,6-Dibromo-4-hydroxypyridine
CasNumber: 220616-68-2
MolecularFormula: C5H3Br2NO
MolecularWeight: 252.8914
MdlNumber: MFCD13185517
Smiles: Oc1cc(Br)nc(c1)Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AF36906
ChemicalName:
2,6-Dibromo-4-hydroxypyridine
CasNumber:
220616-68-2
MolecularFormula:
C5H3Br2NO
MolecularWeight:
252.8914
MdlNumber:
MFCD13185517
Smiles:
Oc1cc(Br)nc(c1)Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9