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Home > Boronic Acids > 370864-49-6
370864-49-6 | 1-chloroisoquinolin-7-yl-7-boronic acid
CAS No: 370864-49-6 Catalog No: AG00C95V MDL No:MFCD13190241
Product Description
Catalog Number:
AG00C95V
Chemical Name:
1-chloroisoquinolin-7-yl-7-boronic acid
CAS Number:
370864-49-6
Molecular Formula:
C9H7BClNO2
Molecular Weight:
207.4214
MDL Number:
MFCD13190241
IUPAC Name:
(1-chloroisoquinolin-7-yl)boronic acid
InChI:
InChI=1S/C9H7BClNO2/c11-9-8-5-7(10(13)14)2-1-6(8)3-4-12-9/h1-5,13-14H
InChI Key:
AQNFGOQIKKLSSM-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)c(Cl)ncc2)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.42g/mol
Monoisotopic Mass:
207.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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