2-[(4-methoxyphenyl)methoxy]pyrimidin-5-ylboronic acid

2-[(4-methoxyphenyl)methoxy]pyrimidin-5-ylboronic acid

CAS: 1217500-72-5

Formula: C12H13BN2O4

SMILES: COC1=CC=C(COC2=NC=C(C=N2)B(O)O)C=C1

IUPAC: {2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl}boronic acid

InChI: InChI=1S/C12H13BN2O4/c1-18-11-4-2-9(3-5-11)8-19-12-14-6-10(7-15-12)13(16)17/h2-7,16-17H,8H2,1H3

Composition: C (55.42%), H (5.04%), B (4.16%), N (10.77%), O (24.61%)

Molar Mass: 260.06

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.096837
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	DDOPLKCYKQDZCF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.75
Topological Polar Surface Area	84.7
Polarizability	26.41
Ring Count	2
Rotatable Bond Count	5

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