AG003L04

1532-97-4 | 4-Bromoisoquinoline

AG003L04

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CAS Number	1532-97-4
Catalog Number	AG003L04(AGN-PC-0JLB5V)
Chemical Name	4-Bromoisoquinoline
EC Number	216-244-8
IUPAC Name	4-bromoisoquinoline
InChI	InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChI Key	SCRBSGZBTHKAHU-UHFFFAOYSA-N
MDL Number	MFCD00006904
Molecular Formula	C9H6BrN
Molecular Weight	208.0546
NSC Number	56333
SMILES	Brc1c2c(cnc1)cccc2
Synonyms	4-Bromoisoquinoline, 1532-97-4, Isoquinoline, 4-bromo-, 4-bromo-isoquinoline, MFCD00006904, 4-Bromoisoquinoline, 98%, SCRBSGZBTHKAHU-UHFFFAOYSA-N, 4-bromisochinolin, 4bromoisoquinoline, NSC56333, EINECS 216-244-8, 4- bromoisoquinoline, NSC 56333, 4-Bromoisoquinoline?, PubChem6212, AI3-61891, ACMC-1BU1H, AC1L2KF4, AC1Q26KW, KSC174M2H, SCHEMBL111247, AC1Q24I2, Jsp002976, CTK0H4623, DTXSID00165284, ZINC157206, ACT01925, ALBB-020931, BCP23463, CS-D1707, STR02942, ABBYPHARMA AP-12-10887, ANW-21442, NSC-56333, SBB054598, AKOS000265327, AB00815, AC-2847, CB-4056, FS-2636, MCULE-3634857703, RP04650, RTC-062237, TRA0074400, KS-00000V96, AJ-14946, AK-25455, AN-13585, BC003120, BP-10040, BR-25455, CJ-01615, SC-01318, SY003110, ZB006601, AB0005270, AB1001521, DB-005341, ST2411236, TC-062237, TL8001145, AM20070078, B0930, FT-0601079, ST45024662, AZ0001-0063, EN300-62642, MFCD00006904 (97%), C-1035, AC-907/25014358, W-108037, Z57474193, InChI=1/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6, null, 4-bromo isoquinoline, C9H6BrN, 4-Isoquinolinyl Bromide, C9-H6-Br-N, CID73743, AR-1G1144, ACN-036045, 4-Bromoisoquinoline, 98% - 100G 100g, 15582-23-7,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.968g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.058g/mol
Monoisotopic Mass	206.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number