2-bromo-N-[(4-methoxyphenyl)methyl]-4-nitroaniline

2-bromo-N-[(4-methoxyphenyl)methyl]-4-nitroaniline

CAS: 1150271-16-1

Formula: C14H13BrN2O3

SMILES: COC1=CC=C(CNC2=CC=C(C=C2Br)[N+]([O-])=O)C=C1

IUPAC: 2-bromo-N-[(4-methoxyphenyl)methyl]-4-nitroaniline

InChI: InChI=1S/C14H13BrN2O3/c1-20-12-5-2-10(3-6-12)9-16-14-7-4-11(17(18)19)8-13(14)15/h2-8,16H,9H2,1H3

Composition: C (49.87%), H (3.89%), Br (23.70%), N (8.31%), O (14.24%)

Molar Mass: 337.173

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	336.010955
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BMWOBECNFSIFRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.27
Topological Polar Surface Area	64.4
Polarizability	30.11
Ring Count	2
Rotatable Bond Count	5

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