2-[(4-bromophenyl)methoxy]-3-methoxybenzaldehyde

2-[(4-bromophenyl)methoxy]-3-methoxybenzaldehyde

CAS: 588679-50-9

Formula: C15H13BrO3

SMILES: COC1=CC=CC(C=O)=C1OCC1=CC=C(Br)C=C1

IUPAC: 2-[(4-bromophenyl)methoxy]-3-methoxybenzaldehyde

InChI: InChI=1S/C15H13BrO3/c1-18-14-4-2-3-12(9-17)15(14)19-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3

Composition: C (56.10%), H (4.08%), Br (24.88%), O (14.94%)

Molar Mass: 321.17

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.004807
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LOMRJQANQRYBTL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.8
Topological Polar Surface Area	35.53
Polarizability	29.61
Ring Count	2
Rotatable Bond Count	5

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