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175393-09-6 | Carbamic acid, (5-bromo-2-pyridinyl)-, phenylmethyl ester (9CI)
CAS No: 175393-09-6 Catalog No: AG0020YG MDL No:MFCD11976386
Product Description
Catalog Number:
AG0020YG
Chemical Name:
Carbamic acid, (5-bromo-2-pyridinyl)-, phenylmethyl ester (9CI)
CAS Number:
175393-09-6
Molecular Formula:
C13H11BrN2O2
Molecular Weight:
307.1426
MDL Number:
MFCD11976386
IUPAC Name:
benzyl N-(5-bromopyridin-2-yl)carbamate
InChI:
InChI=1S/C13H11BrN2O2/c14-11-6-7-12(15-8-11)16-13(17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16,17)
InChI Key:
XAHHPDSPSWOXMS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cn1)Br)OCc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.147g/mol
Monoisotopic Mass:
306g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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