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Home > Boronic Acids > 850589-44-5
850589-44-5 | (3-Chloro-4-(cyclopropylcarbamoyl)phenyl)boronic acid
CAS No: 850589-44-5 Catalog No: AG004S9H MDL No:MFCD07363770
Product Description
Catalog Number:
AG004S9H
Chemical Name:
(3-Chloro-4-(cyclopropylcarbamoyl)phenyl)boronic acid
CAS Number:
850589-44-5
Molecular Formula:
C10H11BClNO3
Molecular Weight:
239.4632
MDL Number:
MFCD07363770
IUPAC Name:
[3-chloro-4-(cyclopropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BClNO3/c12-9-5-6(11(15)16)1-4-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
InChI Key:
TUPWHDSMIIRKLY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NC1CC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.462g/mol
Monoisotopic Mass:
239.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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