4-bromo-5-(3-methylbutoxy)-2-nitroaniline

4-bromo-5-(3-methylbutoxy)-2-nitroaniline

CAS: 1255574-61-8

Formula: C11H15BrN2O3

SMILES: CC(C)CCOC1=CC(N)=C(C=C1Br)[N+]([O-])=O

IUPAC: 4-bromo-5-(3-methylbutoxy)-2-nitroaniline

InChI: InChI=1S/C11H15BrN2O3/c1-7(2)3-4-17-11-6-9(13)10(14(15)16)5-8(11)12/h5-7H,3-4,13H2,1-2H3

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	YWBRNGDBCRWWLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.59
Topological Polar Surface Area	78.39
Polarizability	26.14
Ring Count	1
Rotatable Bond Count	5

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