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1417200-36-2 | 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CAS No: 1417200-36-2 Catalog No: AG01DDJU MDL No:MFCD28147940
Product Description
Catalog Number:
AG01DDJU
Chemical Name:
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CAS Number:
1417200-36-2
Molecular Formula:
C13H16BBrO3
Molecular Weight:
310.9793
MDL Number:
MFCD28147940
IUPAC Name:
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H16BBrO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-8H,1-4H3
InChI Key:
GHLAMZGDVNZKEY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.982g/mol
Monoisotopic Mass:
310.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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