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219945-56-9 | (4-(Isopropylamino);phenyl);boronic acid
CAS No: 219945-56-9 Catalog No: AG003BU3 MDL No:MFCD06798224
Product Description
Catalog Number:
AG003BU3
Chemical Name:
(4-(Isopropylamino);phenyl);boronic acid
CAS Number:
219945-56-9
Molecular Formula:
C9H14BNO2
Molecular Weight:
179.0240
MDL Number:
MFCD06798224
IUPAC Name:
[4-(propan-2-ylamino)phenyl]boronic acid
InChI:
InChI=1S/C9H14BNO2/c1-7(2)11-9-5-3-8(4-6-9)10(12)13/h3-7,11-13H,1-2H3
InChI Key:
DJSHCMVTELTHFC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)NC(C)C)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.026g/mol
Monoisotopic Mass:
179.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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