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methyl 2-amino-5-chloro-3-nitrobenzoate

methyl 2-amino-5-chloro-3-nitrobenzoate

CAS: 84228-49-9

Formula: C8H7ClN2O4

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

IUPAC: methyl 2-amino-5-chloro-3-nitrobenzoate

InChI: InChI=1S/C8H7ClN2O4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,10H2,1H3

Composition: C (41.67%), H (3.06%), Cl (15.37%), N (12.15%), O (27.75%)

Molar Mass: 230.6

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.0094344
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ISMXPTNCRAJFPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.91
Topological Polar Surface Area 95.46
Polarizability 19.84
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 84228-49-9 $316.25-$1,058.00$316.25$1,058.00
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