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201677-59-0 | Formamide, N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-
CAS No: 201677-59-0 Catalog No: AG002DKF MDL No:MFCD11053534
Product Description
Catalog Number:
AG002DKF
Chemical Name:
Formamide, N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-
CAS Number:
201677-59-0
Molecular Formula:
C16H16BrNO3
Molecular Weight:
350.2071
MDL Number:
MFCD11053534
IUPAC Name:
N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide
InChI:
InChI=1S/C16H16BrNO3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
InChI Key:
HKSUZIIGCSOMPX-HNNXBMFYSA-N
SMILES:
O=CNc1cc(ccc1OCc1ccccc1)[C@H](CBr)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
349.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.212g/mol
Monoisotopic Mass:
349.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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