4-bromo-2-nitro-5-(pentyloxy)aniline

4-bromo-2-nitro-5-(pentyloxy)aniline

CAS: 1255574-52-7

Formula: C11H15BrN2O3

SMILES: CCCCCOC1=C(Br)C=C(C(N)=C1)[N+]([O-])=O

IUPAC: 4-bromo-2-nitro-5-(pentyloxy)aniline

InChI: InChI=1S/C11H15BrN2O3/c1-2-3-4-5-17-11-7-9(13)10(14(15)16)6-8(11)12/h6-7H,2-5,13H2,1H3

Composition: C (43.58%), H (4.99%), Br (26.36%), N (9.24%), O (15.83%)

Molar Mass: 303.156

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.026605
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OHZWPVYCXDSWFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.64
Topological Polar Surface Area	78.39
Polarizability	26.14
Ring Count	1
Rotatable Bond Count	6

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