4-(4-benzylpiperazin-1-yl)-3-bromobenzaldehyde

4-(4-benzylpiperazin-1-yl)-3-bromobenzaldehyde

CAS: 443777-04-6

Formula: C18H19BrN2O

SMILES: BrC1=C(C=CC(C=O)=C1)N1CCN(CC2=CC=CC=C2)CC1

IUPAC: 4-(4-benzylpiperazin-1-yl)-3-bromobenzaldehyde

InChI: InChI=1S/C18H19BrN2O/c19-17-12-16(14-22)6-7-18(17)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2

Composition: C (60.18%), H (5.33%), Br (22.24%), N (7.80%), O (4.45%)

Molar Mass: 359.267

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	358.068076
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RJQOEOHVLBKVHV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.36
Topological Polar Surface Area	23.55
Polarizability	35.65
Ring Count	3
Rotatable Bond Count	4

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