AA51680
137888-35-8 | Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (9CI)
Manufacturer: A2B Chem
CAS Number: 137888-35-8
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Catalog Number
AA51680
Chemical Name
Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (9CI)
Cas Number
137888-35-8
Molecular Formula
C9H18Cl3O4P
Molecular Weight
327.5696
Mdl Number
MFCD32206423
Smiles
ClCCCOP(=O)(OC(CCl)C)OCCCCl
Complexity
216
Covalently-Bonded Unit Count
1
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
11
Undefined Atom Stereocenter Count
1
Xlogp3
2.4
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| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
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Catalog Number: AA51680
Chemical Name: Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (9CI)
Cas Number: 137888-35-8
Molecular Formula: C9H18Cl3O4P
Molecular Weight: 327.5696
Mdl Number: MFCD32206423
Smiles: ClCCCOP(=O)(OC(CCl)C)OCCCCl
Complexity: 216
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 17
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 11
Undefined Atom Stereocenter Count: 1
Xlogp3: 2.4
Catalog Number:
AA51680
Chemical Name:
Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (9CI)
Cas Number:
137888-35-8
Molecular Formula:
C9H18Cl3O4P
Molecular Weight:
327.5696
Mdl Number:
MFCD32206423
Smiles:
ClCCCOP(=O)(OC(CCl)C)OCCCCl
Complexity:
216
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
11
Undefined Atom Stereocenter Count:
1
Xlogp3:
2.4
Catalog Number: AA51684
Chemical Name: 6-O-Feruloylglucose
Cas Number: 137887-25-3
Molecular Formula: C16H20O9
Molecular Weight: 356.3246
Mdl Number: MFCD18643048
Smiles: O=C[C@@H]([C@H]([C@@H]([C@@H](COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O)O
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: __
Catalog Number:
AA51684
Chemical Name:
6-O-Feruloylglucose
Cas Number:
137887-25-3
Molecular Formula:
C16H20O9
Molecular Weight:
356.3246
Mdl Number:
MFCD18643048
Smiles:
O=C[C@@H]([C@H]([C@@H]([C@@H](COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O)O
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
__
Catalog Number: AA51686
Chemical Name: 1-((4-Ethoxyphenyl)amino)-2-oxoethyl acetate
Cas Number: 13789-91-8
Molecular Formula: C12H15NO4
Molecular Weight: 237.2518
Mdl Number: MFCD01893535
Smiles: CCOc1ccc(cc1)NC(=O)C(=O)OCC
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: __
Catalog Number:
AA51686
Chemical Name:
1-((4-Ethoxyphenyl)amino)-2-oxoethyl acetate
Cas Number:
13789-91-8
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
Mdl Number:
MFCD01893535
Smiles:
CCOc1ccc(cc1)NC(=O)C(=O)OCC
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
__
Catalog Number: AA51688
Chemical Name: 1H-1,2,4-Triazole-3-sulfonic acid
Cas Number: 13789-27-0
Molecular Formula: C2H3N3O3S
Molecular Weight: 149.1285
Mdl Number: MFCD06435360
Smiles: OS(=O)(=O)c1ncn[nH]1
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: __
Catalog Number:
AA51688
Chemical Name:
1H-1,2,4-Triazole-3-sulfonic acid
Cas Number:
13789-27-0
Molecular Formula:
C2H3N3O3S
Molecular Weight:
149.1285
Mdl Number:
MFCD06435360
Smiles:
OS(=O)(=O)c1ncn[nH]1
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
__