3-bromo-4-(morpholin-4-yl)benzaldehyde

3-bromo-4-(morpholin-4-yl)benzaldehyde

CAS: 263349-24-2

Formula: C11H12BrNO2

SMILES: BrC1=C(C=CC(C=O)=C1)N1CCOCC1

IUPAC: 3-bromo-4-(morpholin-4-yl)benzaldehyde

InChI: InChI=1S/C11H12BrNO2/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2

Composition: C (48.91%), H (4.48%), Br (29.58%), N (5.19%), O (11.85%)

Molar Mass: 270.126

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.005142
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ARPSCKOKVZPRIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.77
Topological Polar Surface Area	29.54
Polarizability	23.54
Ring Count	2
Rotatable Bond Count	2

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