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834884-86-5 | [4-(6-FORMYLPYRIDIN-2-YL)PHENYL]CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 834884-86-5 Catalog No: AG00G36F MDL No:MFCD07776852
Product Description
Catalog Number:
AG00G36F
Chemical Name:
[4-(6-FORMYLPYRIDIN-2-YL)PHENYL]CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
834884-86-5
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
MDL Number:
MFCD07776852
IUPAC Name:
tert-butyl N-[4-(6-formylpyridin-2-yl)phenyl]carbamate
InChI:
InChI=1S/C17H18N2O3/c1-17(2,3)22-16(21)19-13-9-7-12(8-10-13)15-6-4-5-14(11-20)18-15/h4-11H,1-3H3,(H,19,21)
InChI Key:
UKAPEGUQXJZYQQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(n1)c1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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