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Home > Boronic Acids > 480425-34-1
480425-34-1 | 3-BROMO-2-BUTOXYPHENYLBORONIC ACID
CAS No: 480425-34-1 Catalog No: AG00D9RB MDL No:MFCD04974101
Product Description
Catalog Number:
AG00D9RB
Chemical Name:
3-BROMO-2-BUTOXYPHENYLBORONIC ACID
CAS Number:
480425-34-1
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD04974101
IUPAC Name:
(3-bromo-2-butoxyphenyl)boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-2-3-7-15-10-8(11(13)14)5-4-6-9(10)12/h4-6,13-14H,2-3,7H2,1H3
InChI Key:
HKYOOGBELZHMIS-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Br)cccc1B(O)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.933g/mol
Monoisotopic Mass:
272.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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