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102394-34-3 | Benzoxazole, 5-chloro-2-(phenylmethyl)-
CAS No: 102394-34-3 Catalog No: AG0007BN MDL No:
Product Description
Catalog Number:
AG0007BN
Chemical Name:
Benzoxazole, 5-chloro-2-(phenylmethyl)-
CAS Number:
102394-34-3
Molecular Formula:
C14H10ClNO
Molecular Weight:
243.6883
IUPAC Name:
2-benzyl-5-chloro-1,3-benzoxazole
InChI:
InChI=1S/C14H10ClNO/c15-11-6-7-13-12(9-11)16-14(17-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
VGBHQZWWYLTLCB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(o2)Cc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.69g/mol
Monoisotopic Mass:
243.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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