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methyl 2-chloro-3-nitrobenzoate

methyl 2-chloro-3-nitrobenzoate

CAS: 53553-14-3

Formula: C8H6ClNO4

SMILES: COC(=O)C1=CC=CC(=C1Cl)[N+]([O-])=O

IUPAC: methyl 2-chloro-3-nitrobenzoate

InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3

Composition: C (44.57%), H (2.81%), Cl (16.44%), N (6.50%), O (29.68%)

Molar Mass: 215.59

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.9985354
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JBCQPBVZKBEHNF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.21
Topological Polar Surface Area 69.44
Polarizability 18.71
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 53553-14-3 $15.13-$417.39$15.13$32.79$121.06$417.39
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