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Home > Boronic Acids > 313545-20-9
313545-20-9 | 3-Chloro-2-methyl phenyl boronic acid
CAS No: 313545-20-9 Catalog No: AG0035Z5 MDL No:MFCD04115641
Product Description
Catalog Number:
AG0035Z5
Chemical Name:
3-Chloro-2-methyl phenyl boronic acid
CAS Number:
313545-20-9
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
MDL Number:
MFCD04115641
IUPAC Name:
(3-chloro-2-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
InChI Key:
BJPNVVXTUYMJPN-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1C)Cl)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.399g/mol
Monoisotopic Mass:
170.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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