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Home > Boronic Acids > 389621-84-5
389621-84-5 | 4-(MORPHOLINE-4-CARBONYL)PHENYLBORONIC ACID
CAS No: 389621-84-5 Catalog No: AG00BYGE MDL No:MFCD03411952
Product Description
Catalog Number:
AG00BYGE
Chemical Name:
4-(MORPHOLINE-4-CARBONYL)PHENYLBORONIC ACID
CAS Number:
389621-84-5
Molecular Formula:
C11H14BNO4
Molecular Weight:
235.0442
MDL Number:
MFCD03411952
IUPAC Name:
[4-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
InChI Key:
KMNLIQJXZPBCDU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N1CCOCC1)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.046g/mol
Monoisotopic Mass:
235.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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