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benzyl oxalochloridate

benzyl oxalochloridate

CAS: 35249-73-1

Formula: C9H7ClO3

SMILES: ClC(=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl oxalochloridate

InChI: InChI=1S/C9H7ClO3/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2

Composition: C (54.43%), H (3.55%), Cl (17.85%), O (24.17%)

Molar Mass: 198.6

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.0083718
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YOZSRQSUXWJLEU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.68
Topological Polar Surface Area 43.37
Polarizability 18.62
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 35249-73-1 $209.76-$2,030.96$209.76$209.76$404.23$404.23$2,030.96$2,030.96
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