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198277-78-0 | Boronic acid, (chloromethyl)- (9CI)
CAS No: 198277-78-0 Catalog No: AG002BE2 MDL No:
Product Description
Catalog Number:
AG002BE2
Chemical Name:
Boronic acid, (chloromethyl)- (9CI)
CAS Number:
198277-78-0
Molecular Formula:
CH4BClO2
Molecular Weight:
94.3053
IUPAC Name:
chloromethylboronic acid
InChI:
InChI=1S/CH4BClO2/c3-1-2(4)5/h4-5H,1H2
InChI Key:
AVGSVJIEJHBLOL-UHFFFAOYSA-N
SMILES:
ClCB(O)O
Properties
Complexity:
23.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.999g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
94.301g/mol
Monoisotopic Mass:
93.999g/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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