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tert-butyl N-(2-amino-3-bromo-4-methylphenyl)carbamate

tert-butyl N-(2-amino-3-bromo-4-methylphenyl)carbamate

CAS: 2097068-65-8

Formula: C12H17BrN2O2

SMILES: CC1=CC=C(NC(=O)OC(C)(C)C)C(N)=C1Br

IUPAC: tert-butyl N-(2-amino-3-bromo-4-methylphenyl)carbamate

InChI: InChI=1S/C12H17BrN2O2/c1-7-5-6-8(10(14)9(7)13)15-11(16)17-12(2,3)4/h5-6H,14H2,1-4H3,(H,15,16)

Composition: C (47.86%), H (5.69%), Br (26.53%), N (9.30%), O (10.62%)

Molar Mass: 301.184

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 300.047341
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IGAREGZGZATZTF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.71
Topological Polar Surface Area 64.35
Polarizability 27.16
Ring Count 1
Rotatable Bond Count 3

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98% <2 Days 2097068-65-8 $540.50-$5,612.00$540.50$966.00$1,587.00$5,612.00
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