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1251033-82-5 | Carbamic acid, N-(1H-pyrazol-3-ylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1251033-82-5 Catalog No: AG000N6X MDL No:MFCD14617089
Product Description
Catalog Number:
AG000N6X
Chemical Name:
Carbamic acid, N-(1H-pyrazol-3-ylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1251033-82-5
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD14617089
IUPAC Name:
tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate
InChI:
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-6-7-4-5-11-12-7/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
JXNFVHMWICVPPJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cc[nH]n1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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