AG0029U8

205055-63-6 | Isoquinoline, 6-bromo-1-chloro-

AG0029U8

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CAS Number	205055-63-6
Catalog Number	AG0029U8(AGN-PC-03MTHB)
Chemical Name	Isoquinoline, 6-bromo-1-chloro-
IUPAC Name	6-bromo-1-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H
InChI Key	VOAHGGQULSSGQW-UHFFFAOYSA-N
MDL Number	MFCD06738661
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	BrC2=CC=C1C(=NC=CC1=C2)Cl
Synonyms	6-Bromo-1-chloroisoquinoline, 205055-63-6, 6-BROMO-1-CHLORO-ISOQUINOLINE, 1-Chloro-6-bromoisoquinoline, ISOQUINOLINE, 6-BROMO-1-CHLORO-, PubChem23144, 1-chloro-6-bromo-isoquinoline, SCHEMBL1536295, Isoquinoline,6-bromo-1-chloro-, CTK4E4382, DTXSID50623869, VOAHGGQULSSGQW-UHFFFAOYSA-N, ACT10199, BCP26583, ABBYPHARMA AP-14-10832, ANW-50764, BBL102070, MFCD06738661, STL555869, ZINC36257952, AKOS015851174, AB27582, AC-7723, AN-2516, CB-3047, CS-W019620, QC-1350, RP05910, RTC-068148, TRA0075969, AJ-92545, AK-23848, BC004877, BR-23848, CJ-18882, DS-10604, EN000361, SC-27759, SC-34299, SY007683, 6-bromo-1-chloro-isoquinoline, AldrichCPR, AB0023286, DB-050540, ST2412191, TC-068148, 4CH-012867, AM20050929, FT-0083653, FT-0650283, W4311, C-1707, MFCD06738661 (97+%), 055B636, I14-6668, W-206524, C9H5BrClN, RW1651, ACN-039067, C2296, A15358,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.929g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.5g/mol
Monoisotopic Mass	240.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number