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Home > Other Heterocycles > 54371-12-9
54371-12-9 | 7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-CARBONYL CHLORIDE
CAS No: 54371-12-9 Catalog No: AG01BTVO MDL No:MFCD09868037
Product Description
Catalog Number:
AG01BTVO
Chemical Name:
7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-CARBONYL CHLORIDE
CAS Number:
54371-12-9
Molecular Formula:
C10H13ClO2
Molecular Weight:
200.6620
MDL Number:
MFCD09868037
IUPAC Name:
7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl chloride
InChI:
InChI=1S/C10H13ClO2/c1-9(2)6-3-4-10(9,8(11)13)7(12)5-6/h6H,3-5H2,1-2H3
InChI Key:
SFQJZTMMKIFIGJ-UHFFFAOYSA-N
SMILES:
ClC(=O)C12CCC(C2(C)C)CC1=O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.662g/mol
Monoisotopic Mass:
200.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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