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1312949-21-5 | Carbamic acid, N-(3-chloro-1-methyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester
CAS No: 1312949-21-5 Catalog No: AG000VVH MDL No:
Product Description
Catalog Number:
AG000VVH
Chemical Name:
Carbamic acid, N-(3-chloro-1-methyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester
CAS Number:
1312949-21-5
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
IUPAC Name:
tert-butyl N-(5-chloro-2-methylpyrazol-3-yl)carbamate
InChI:
InChI=1S/C9H14ClN3O2/c1-9(2,3)15-8(14)11-7-5-6(10)12-13(7)4/h5H,1-4H3,(H,11,14)
InChI Key:
QZGMVMPHSSPPJN-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(nn1C)Cl)OC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.68g/mol
Monoisotopic Mass:
231.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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