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tert-butyl 2-chloro-4-nitrobenzoate

tert-butyl 2-chloro-4-nitrobenzoate

CAS: 250790-05-7

Formula: C11H12ClNO4

SMILES: CC(C)(C)OC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl 2-chloro-4-nitrobenzoate

InChI: InChI=1S/C11H12ClNO4/c1-11(2,3)17-10(14)8-5-4-7(13(15)16)6-9(8)12/h4-6H,1-3H3

Composition: C (51.28%), H (4.69%), Cl (13.76%), N (5.44%), O (24.84%)

Molar Mass: 257.67

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.0454856
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AWGXKDKZWXJTFT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.01
Topological Polar Surface Area 69.44
Polarizability 24.14
Ring Count 1
Rotatable Bond Count 4

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 250790-05-7 $2,640.00-$4,180.00$2,640.00$3,300.00$4,180.00
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Chemcia Scientific, LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 250790-05-7 $316.25-$1,109.75$316.25$1,109.75
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