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Home > Boronic Acids > 1036991-20-4
1036991-20-4 | 4-(pyrrolidin-1-ylMethyl)phenylboronic acid
CAS No: 1036991-20-4 Catalog No: AG0095KE MDL No:MFCD06801708
Product Description
Catalog Number:
AG0095KE
Chemical Name:
4-(pyrrolidin-1-ylMethyl)phenylboronic acid
CAS Number:
1036991-20-4
Molecular Formula:
C11H16BNO2
Molecular Weight:
205.0612
MDL Number:
MFCD06801708
IUPAC Name:
[4-(pyrrolidin-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO2/c14-12(15)11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6,14-15H,1-2,7-9H2
InChI Key:
VXHLRYOCYRFLMS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCCC1)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.064g/mol
Monoisotopic Mass:
205.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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