AX62272
88203-04-7 | 2-[(2-Acetylphenyl)amino]acetonitrile
Manufacturer: A2B Chem
CAS Number: 88203-04-7
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Catalog Number
AX62272
Chemical Name
2-[(2-Acetylphenyl)amino]acetonitrile
Cas Number
88203-04-7
Molecular Formula
C10H10N2O
Molecular Weight
174.1992
Mdl Number
MFCD01673016
Smiles
N#CCNc1ccccc1C(=O)C
Complexity
228
Covalently-Bonded Unit Count
1
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Rotatable Bond Count
3
Xlogp3
2.1
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|---|---|---|---|---|
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Catalog Number: AX62272
Chemical Name: 2-[(2-Acetylphenyl)amino]acetonitrile
Cas Number: 88203-04-7
Molecular Formula: C10H10N2O
Molecular Weight: 174.1992
Mdl Number: MFCD01673016
Smiles: N#CCNc1ccccc1C(=O)C
Complexity: 228
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 3
Xlogp3: 2.1
Catalog Number:
AX62272
Chemical Name:
2-[(2-Acetylphenyl)amino]acetonitrile
Cas Number:
88203-04-7
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
Mdl Number:
MFCD01673016
Smiles:
N#CCNc1ccccc1C(=O)C
Complexity:
228
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
3
Xlogp3:
2.1
Catalog Number: AX62274
Chemical Name: 2-(4-Methylphenyl)pyrazine
Cas Number: 108030-80-4
Molecular Formula: C11H10N2
Molecular Weight: 170.2105
Mdl Number: MFCD24849202
Smiles: Cc1ccc(cc1)c1cnccn1
Complexity: 150
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: __
Rotatable Bond Count: 1
Xlogp3: 1.8
Catalog Number:
AX62274
Chemical Name:
2-(4-Methylphenyl)pyrazine
Cas Number:
108030-80-4
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
Mdl Number:
MFCD24849202
Smiles:
Cc1ccc(cc1)c1cnccn1
Complexity:
150
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
1
Xlogp3:
1.8
Catalog Number: AX62277
Chemical Name: Benzenepropanoic acid, 4-bromo-α-hydroxy-, methyl ester, (αR)-
Cas Number: 2166118-09-6
Molecular Formula: C10H11BrO3
Molecular Weight: 259.0965
Mdl Number: MFCD32173680
Smiles: COC(=O)[C@@H](Cc1ccc(cc1)Br)O
Complexity: 188
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 4
Xlogp3: 2.1
Catalog Number:
AX62277
Chemical Name:
Benzenepropanoic acid, 4-bromo-α-hydroxy-, methyl ester, (αR)-
Cas Number:
2166118-09-6
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
Mdl Number:
MFCD32173680
Smiles:
COC(=O)[C@@H](Cc1ccc(cc1)Br)O
Complexity:
188
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
4
Xlogp3:
2.1
Catalog Number: AX62278
Chemical Name: 3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione
Cas Number: 65745-83-7
Molecular Formula: C16H20O7
Molecular Weight: 324.3258
Mdl Number: MFCD30474830
Smiles: O=C1OCCOCCOCCOCCOC(=O)c2cc1ccc2
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AX62278
Chemical Name:
3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione
Cas Number:
65745-83-7
Molecular Formula:
C16H20O7
Molecular Weight:
324.3258
Mdl Number:
MFCD30474830
Smiles:
O=C1OCCOCCOCCOCCOC(=O)c2cc1ccc2
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__