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Home > Boronic Acids > 112214-79-6
112214-79-6 | 1H-Borole, 3,4-dimethyl-1-phenyl-
CAS No: 112214-79-6 Catalog No: AG007BYU MDL No:
Product Description
Catalog Number:
AG007BYU
Chemical Name:
1H-Borole, 3,4-dimethyl-1-phenyl-
CAS Number:
112214-79-6
Molecular Formula:
C12H13B
Molecular Weight:
168.0426
IUPAC Name:
3,4-dimethyl-1-phenylborole
InChI:
InChI=1S/C12H13B/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h3-9H,1-2H3
InChI Key:
DWOGSQHUVXGQLP-UHFFFAOYSA-N
SMILES:
CC1=CB(C=C1C)c1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.046g/mol
Monoisotopic Mass:
168.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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