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

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

CAS: 957062-86-1

Formula: C14H13BrN2O3

SMILES: COC1=CC=C(CNC2=CC=C(Br)C=C2[N+]([O-])=O)C=C1

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

InChI: InChI=1S/C14H13BrN2O3/c1-20-12-5-2-10(3-6-12)9-16-13-7-4-11(15)8-14(13)17(18)19/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 JYXSTHDIPJVKSH-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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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 957062-86-1 $192.05-$1,386.90$192.05$409.40$572.70$734.85$1,386.90
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